Novel gtp cyclohydrolase type ib

ABSTRACT

This invention relates to a novel, bacterial GTP Cyclohydrolase Type IB enzyme, and the crystal structure thereof.

RELATED APPLICATIONS

The present application is a divisional of U.S. patent application Ser.No. 12/756,617 filed Apr. 8, 2010; which is a continuation-in-part ofU.S. patent application Ser. No. 12/670,438, filed Jan. 25, 2010; whichis a U.S. national phase application of PCT/US08/71358, filed Jul. 28,2008; and which is related to and claims the priority benefit of U.S.Provisional Patent Application Ser. No. 60/935,124, “entitled Novel GTPCyclohydrolase Type IB,” filed Jul. 26, 2007.

This invention was made with United States government support underGrant R01 GM70641-01 awarded by the National Institutes of Health, andAward No. MCB-0516948 awarded by the National Science Foundation. TheStanford Synchrotron Research Laboratory Structural Molecular BiologyProgram is supported by the Department of Energy, National Institutes ofHealth, and the National Institute of General Medical Sciences. Thegovernment has certain rights in the invention.

BACKGROUND

Bacterial diseases, such as those caused by Neisseria gonorrhea andStaphylococcus aureus, pose significant disease and health risks. N.gonorrhoeae is the causative agent of the sexually transmitted diseasegonorrhea (infection of the genitalia, and urinary tract) and cause ofpelvic inflammatory disease and infertility in one million women a year.Worldwide, there are an estimated 62 million new cases a year, with anaverage of 22 million cases at any given time. About 0.8 million newgonorrhea infections are reported each year in the U.S, primarily amongteenage females and African Americans, costing $1.1 billion/year intreatment and related expenses. Importantly, gonorrhea infectionsincrease the transmission and susceptibility to human immunodeficiencyvirus infection. Moreover, gonorrhea has become resistant to traditionaltreatments with quinolone (ciprofloxacin), tetracycline, penicillin, andsulfonamides. Currently, twenty percent of reported gonorrhea cases inthe U.S. and Europe are resistant to all of these drugs, with thehighest resistance seen among homosexual males. Although gonorrhea cannow be treated with ultra high doses of azithromycin, resistance to thatantibiotic is also emerging.

The S. aureus bacterium currently causes the most common and seriousinfections that occur in hospitalized patients. In recent years, S.aureus has become resistant to antibiotics (thus named Multidrug- orMethicillin-Resistant S. aureus, MRSA), causing a serious public healthproblem in the United States and worldwide. Sixty percent ofintensive-care-unit infections in the U.S. are caused by MRSA, leadingto significant mortality. The MRSA “superbug” multiplies very rapidly inthe bloodstream causing toxic shock syndrome, and/or on the skin causingfuruncles. Once an infection occurs, it is almost impossible to treatwith existing antibiotics, especially in immune-compromised and elderlypatients. When an incurable MRSA infection reaches the heart, it oftencauses fatal endocarditis.

Hence, there is a growing need for alternative treatments against suchbacterial pathogens.

SUMMARY OF THE INVENTION

An object of the present invention provides for a novel avenue forcombating bacterial pathogens by targeting specific enzymes that archaeaand bacteria, but not eukarya, require. One embodiment of the presentinvention presents a novel, purified bacterial enzyme, GTPCyclohydrolase Type IB (GCYH-IB).

Another embodiment provides for the crystalline structure of GCYH-IB. Arelated embodiments provides a GCYH-IB crystal. Yet another relatedembodiment provides for a computer-readable medium having GTPCyclohydrolase Type IB crystal structure information stored thereon.

DESCRIPTION OF THE DRAWINGS

FIG. 1 presents a diagram of the reaction catalyzed by GTPCyclohydrolase Type I (GCYH-I), and the metabolic fate of H₂NTP.

FIG. 2 shows the overall structure of GTP Cyclohydrolase Type IB(GCYH-IB). Panel 2A is a ribbon diagram showing a side view (left) and atop view (right) of the full biological tetramer. Panel 2B is astereoview of a FOM-weighted experimental electron density map(resolution 2.2 Å, contour level 1.5 σ), calculated after solventflattening, in the β-sheet region. The map is superimposed on therefined model. The figure was prepared with BobScript software. Esnouf,55(4) Acta Crystallogr. D Biol. Crystallogr. 938-40 (1999).

FIG. 3 depicts the topology of the GCYH-IB monomer and structuralcomparison with other T-fold enzymes. Panel 3A presents topologydiagrams of N. gonorrhoeae GCYH-IB. Panel 3B: of A. flavus urateoxidase; Panel 3C: of E. coli GCYH-IA. Michalopoulos et al., 32 NucleicAcids Res. D251-54 (2004). The N- and C-terminal modules of the corebimodular T-fold are colored in gray and light gray, respectively. C_(α)trace superpositions of the N-(gray) and C-terminal (light gray) modulesof GCYH-IB with corresponding enzymes are shown in Panel B and panel C.Secondary structure nomenclature is shown for the two GCYH-I enzymes.

FIG. 4 presents structure-guided multi-sequence alignment of GCYH-IA andGCYH-IB in the shared T-fold region. For clarity, only four sequencesare shown from each subfamily. Residue labels and secondary structureelements (from the crystal structures) are shown above and below thesequence alignment for enzyme subfamilies A and B, respectively.Secondary structure nomenclature is as in FIG. 3. Residues conservedbetween the two subfamilies are vertically outlined, with the strictlyconserved residues (the substrate binding Glu and zinc binding Cys)highlighted in dark gray. Conserved regions within GCYH-IB subfamily areboxed. The zinc ion-liganding side chains in each subfamily are labeledwith gray stars. The Mn-liganding side chains in GCYH-IB are labeledwith black stars. # indicates a zinc liganding side chain from theneighboring subunit. Ec: Escherichia coli, Tt: Thermus thermophilus, Hs:Homo sapien, Rn: Rattus norvegicus, Tm: Thermotoga maritima, Bs:Bacillus subtilis, Sa: Staphylococcus aureus, Ng: Neisseria gonorrhoeae.

FIG. 5 depicts the metal site in GCYH-IB. Panel A shows a stereoview ofannealed Fo-Fc electron density map (1500 K, 2.2 Å, 2.5 σ, Zn²⁺ and itsligands omitted from the phase calculation) superimposed on the model.Panel B shows the Mn²⁺-occupied metal site in the GCYH-IB.Mn²⁺ complex.Stereoview of annealed omit Fo-Fc electron density map (1500 K, 2.04 Å,2.5 σ, Mn²⁺ and its ligands omitted from phase calculation) superposedon the model. Metal ions and water molecules are shown as spheres.Secondary structure elements in GCYH-IB are labeled.

FIG. 6 presents a 3D alignment of GCYH-IB (regular labels) and T.thermophilus GCYH-IA (italic labels) in the active-site region. Strictlyconserved Cys149 in the metal binding loop of GCYH-IB is shown althoughit does not interact with the bound metal.

FIG. 7 illustrates the physical clustering of GCYH-IB (labeled COG1469)encoding genes with folate biosynthetic genes, such as folk, folP, andfolM (an alternative dihydrofolate reductase gene). Rebelo et al.,326(2) J. Mol. Biol. 503-16 (2003).

FIG. 8 depicts various complementation data of the dT auxotrophy on LB(Panel A) or the slow growth phenotype on LB dT (Panel B) of the E. colifolE::KanR by pBAD derivatives expressing the GCYH-IB genes from B.subtilis (BsfolE2) and A. baylyi (AcfolE2). Panel C showscomplementation of the slow growth on LB in the presence of dT of the E.coli folE::KanR by a plasmid expressing TM0039 (TmfolE2). The control isfolE::KanR transformed by pBAD24. The plates were incubated at 37° C.for 48 h. Panel D presents PCR amplification to check for the presenceof the folE::KanR allele (lanes 2, 4, 6, and 8) and to check for thepresence of an insert of the expected size in the pBAD derivatives(lanes 3, 5, 7, and 9) was performed on the folE::KanR straintransformed with plasmids expressing AcfolE2 (lanes 2 and 3), BsfolE2(lanes 4 and 5), and TmfolE2 (lanes 6 and 7) and with the pBAD24 control(lanes 8 and 9). The expected size of the PCR product detectingfolE::KanR is about 3.5 kb, whereas the same primers amplify a 2.5-kbproduct in the wild type strain. The sizes of the PCR products resultingfrom having AcfolE2, BsfolE2, or TmfolE2 in pBAD24 are 1072, 1105, and960 bp, respectively.

FIG. 9 graphically depicts GCYH-I activity assays. Panel 9A showsUV-visible spectra of cyclohydrolase assays. Line a, E. coli FolE; b,GCYH-IB protein from N. gonorrhoeae; c, GCYH-IB protein from B.subtilis; d, no enzyme. Panel 9B reflects fluorescence spectra ofauthentic neopterin and cyclohydrolase assays following post-reactiondephosphorylation and oxidation. Fluorescence was measured withexcitation at 365 nm. Line a, T. maritima GCYH-IB; b, B. subtilisGCYH-IB; line c, E. coli FolE; d, authentic neopterin; e, N. gonorrhoeaeGCYH-IB. Panel 9C presents HPLC chromatograms of authentic neopterin(line a) and cyclohydrolase assays with E. coli FolE (line b), B.subtilis GCYH-IB added to authentic neopterin (line c), and B. subtilisGCYH-IB alone (line d). Enzyme assays were subjected to postreactiondephosphorylation and oxidation.

FIG. 10 presents B. subtilis GCYH-IB enzymatic activity versus [Mn²⁺](◯) or [Zn²⁺] (). Each data point represents the average of four setsof triplicate assays.

FIG. 11 reflects GCYH-IB-dependent complementation of the B. subtilisAfolE mutant strain. Growth curves in rich medium of wild type (WT) andmutant B. subtilis strains expressing either type of GCYH-I. Strains andtheir corresponding expressed GCYH-I isozyme are listed.

FIG. 12 shows data from X-ray emission and fluorescence scans of boundmetals in GCYH-IB crystals. Panel A reflects the fluorescence spectrumfrom GCYH-IB crystal taken near the zinc absorption edge. Panels B and Care emission scan and fluorescence spectrum, respectively, fromGCYH-IB.Mn²⁺ crystal taken near the manganese K-shell absorption edge.Inflection points in the fluorescence spectra are indicated withvertical lines. The large peak in panel B corresponds to scattering fromthe main beam.

FIG. 13 is a Table of candidate Zur-binding sites upstream of folE2 inbacterial genomes. Distance is given in nucleotides relative to thestart codon of the downstream gene.

DETAILED DESCRIPTION

It should be understood that this invention is not limited to theparticular methodology, protocols, and reagents, etc., described hereinand as such may vary. The terminology used herein is for the purpose ofdescribing particular embodiments only, and is not intended to limit thescope of the present invention, which is defined solely by the claims.

As used herein and in the claims, the singular forms “a,” “an,” and“the” include the plural reference and equivalents known to thoseskilled in the art unless the context clearly indicates otherwise. Otherthan in the operating examples, or where otherwise indicated, allnumbers expressing quantities of ingredients or reaction conditions usedherein should be understood as modified in all instances by the term“about.”

All patents and other publications identified are incorporated herein byreference for the purpose of describing and disclosing, for example, themethodologies described in such publications that might be used inconnection with the present invention, but are not to providedefinitions of terms inconsistent with those presented herein. Thesepublications are provided solely for their disclosure prior to thefiling date of the present application. Nothing in this regard should beconstrued as an admission that the inventors are not entitled toantedate such disclosure by virtue of prior invention or for any otherreason. All statements as to the date or representation as to thecontents of these documents is based on information available to theapplicants and do not constitute any admission as to the correctness ofthe dates or contents of these documents.

Unless defined otherwise, all technical and scientific terms used hereinhave the same meaning as those commonly understood to one of ordinaryskill in the art to which this invention pertains. When COG1469 is usedin the context of a protein or gene family, it is synonymous withGCYH-IB protein or gene family.

Folic acid or folate is an essential metabolite in all life forms. It isused by all cells for the biosynthesis of purines (building blocks ofDNA and RNA), amino acids, and vitamins. Unlike humans, who need folicacid as a dietary supplement, bacteria and yeast biosynthesize folicacid de novo. As a result, folate biosynthesis in bacteria and yeast hasbecome an attractive target in antibacterial therapeutics. For example,sulfonamides, the first synthetic drugs developed with broadantibacterial activity, target a late step in the bacterial folatebiosynthetic pathways. Emerging resistance to existing antibiotics spursthe quest for new and more effective target points along the pathway.One such point is the first step in folate biosynthesis: the conversionof GTP to 7,8-dihydroneopterin triphosphate by the enzyme GTPcyclohydrolase I (GCYH-I). The presence in humans of a homologous enzyme(required for making biopterin, another metabolic co-factor distinctfrom folate), complicated the development of bacterial GCYH-I as a drugtarget.

The present invention provides for a novel GCYH-I family of enzymes,called GCYH-IB, that has been identified in pathogenic bacteria. ElYacoubi et al., 281(49) J. Biol. Chem. 37586-93 (2006), incorporatedfully herein by this reference. Importantly, GCYH-IB is absent inhumans. The present invention identifies the biochemical properties andcrystal structure of GCYH-IB from the pathogenic bacterium N.gonorrhoeae. The unique structure of the active center and the new metaldependency of this cyclohydrolase suggest an enzymatic mechanismdistinct from that of the canonical GCYH-I. The differences in theactive-site architecture and enzymatic mechanism of the two subtypes ofGCYH-I enzymes can be exploited for the design of selective inhibitorsof the bacteria-specific enzyme. Realization of such a goal allows fordevelopment of GCYH-IB as a therapeutic target for antibacterialpharmaceuticals. Furthermore, the presence of GCYH-IB as the soleGTP-cyclohydrolase in two clinically important human pathogens, N.gonorrhoeae and S. aureus, allows investigations of this enzyme as apotential drug target against the antibiotic resistant forms ofgonorrhea and MRSA infections.

More specifically, regarding folate biosynthesis, folic acid in the formof various tetrahydrofolate (THF) derivatives serves as a cofactor inone-carbon transfer reactions during the synthesis of purines,thymidylate, pantothenate, glycine, serine and methionine, in allkingdoms of life. Nichol et al., 54 Ann. Rev. Biochem. 729-64 (1985). Inbacteria, THF is also involved in the biosynthesis of the initiatorformylmethionyl-tRNA. Clark & Marker, 17(2) J. Mol. Biol. 394-406(1966). Plants, fungi, and most bacteria synthesize THF de novo from GTPand p-aminobenzoic acid (pABA). Green et al., in E. COLI & SALMONELLA,CELLULAR & MOLECULAR BIOL. 665-73 (Neidhart, ed., Am. Soc. Micro.,Washington, D.C., 1996); Cossins & Chen, 45(3) Phytochem. 437-52 (1997);Hanson & Gregory, 5(3) Curr. Opin. Plant Biol. 244-49 (2002). Animalslack key enzymes of the folate biosynthetic pathway, and thus require adietary source of folate for normal growth and development. Lucock,71(1) Mol. Genet. Metab. 121-38 (2000).

GTP cyclohydrolase I (GCYH-1; EC 3.5.4.16) is the first enzyme of the denovo THF pathway (FIG. 1). Nichol et al., 1985. It is encoded in E. coliby the folE gene (Katzenmeier et al., 372(11) Biol. Chem. Hoppe Seyler991-97 (1991); Schoedon et al., 210(2) Eur. J. Biochem. 561-68 (1992)),and catalyzes a complex reaction that begins with hydrolytic ringopening of the purine ring at C₈ to generate an N-formyl intermediate,which is then the site for a second hydrolysis with concomitant loss ofC₈ as formic acid. Yim & Brown 251(16) J. Biol. Chem. 5087-94 (1976). Inthe subsequent steps of the reaction, the ribosyl moiety undergoesring-opening and an Amidori rearrangement, followed by cyclization togenerate the pterin ring in THF (FIG. 1). The product ofGCYH-1,7,8-dihydroneopterin triphosphate (H₂NTP), is subsequentlydephosphorylated to 7,8-dihydroneopterin by both specific and nonspecific phosphatases (Klaus et al., 280(7) J. Biol. Chem. 5274-80(2005)), and the remainder of THF biosynthesis carried out by theenzymes encoded by the folBKPCA genes (in E. coli). Green et al., 1996.

The folate pathway has a storied history as an important target inantibacterial therapeutics and cancer chemotherapy. Dihydropteroatesynthase is the target of the sulfonamides (Huovinen et al., 39(2)Antimicrobial Agents & Chemotherapeutics, 279-89 (1995)), anddihydrofolate reductase is the target of methotrexate, the firstanticancer chemotherapy developed. A homologous GCYH-I is found inmammals and other higher eukaryotes, however, where it catalyzes thefirst step of the biopterin (BH4) pathway (FIG. 1), an essentialcofactor in aromatic amino acid oxidation in the biosynthesis oftyrosine and neurotransmitters such as serotonin and L-DOPA. Thony etal., 347(1) Biochem. J. 1-16 (2000); Bonafe et al., 69(2) Am. J. HumanGenet. 269-77 (2001). Although several enzymes in the folate pathwayhave proved important antimicrobial targets (Huovinen et al., 1995), thepresence of homologous GCYH-I enzymes in both humans and bacteria hasprecluded the development of GCYH-I as a viable target.

The role of folate as an essential cofactor, coupled with the historicalimportance of the pathway in the development of antibacterial,antiparasitic, and anticancer therapies (Hoffbrand & Weir, 113(3) Brit.J. Haematol 579-89 (2001)), has led to folate metabolism being anespecially well-characterized area of biology. The discovery of a novel,widely distributed folate biosynthetic enzyme, as described herein,illustrates the power of comparative genomic approaches to link genesand function. The signature genes of the de novo folate pathway, folPand folK, encode dihydropteroate synthase and6-hydromethyl-7,8-dihydropterin pyrophosphokinase, respectively. Allorganisms that possess these two genes should have a homolog of the folEgene, because none of the metabolic intermediates from 7,8-dihydropterintriphosphate to 7,8-dihydro-hydroxymethylpterin pyrophosphate, aretransported in bacteria. Skold, 3(3) Drug Resistance Update, 155-60(2000).

The distribution of the folE/folE2 genes among the sequenced organismsin the SEED database (26 archaeal, 363 bacterial, and 29 eukaryeal moreor less complete genomes) were analyzed. No FolE2 homolog was identifiedin the eukaryotic genomes, and there was significant variation in thedistribution of the FolE/FolE2 genes among bacteria. Analysis of thedistribution of the folE gene among all sequenced genomes that possessedfolKP homologs revealed a large class of organisms that lacked folEhomologs (Table 1), suggesting that folE was “locally missing” in theseorganisms. See also Koonin et al., 12(9) Trends Genet. 334-36 (1996);Suppl. data for El Yacoubi et al., 2006, available at JBC Online.

TABLE 1 Distribution of FolE, COG1469, FolK, and FolP homologs in asubset of sequenced genomes. The genomes used in the phylogeneticpattern search are in bold. Organism FolE COG1469 FolK FolP Escherichiacoli K12 + + + Bacillus subtilis subsp. subtilis str. 168 + + + +Acinetobacter baylyi + + + +

 RB50 + + +

 FA 1090 + + +

 MC58 + + +

 FAM18 + + +

 ST-640 + + +

 ATC 19718 + + +

 HTE831 + + +

 subsp. 

 MW2 + + +

 JCSC1435 + + +

+ + +

 MSB8 + + +

 LSv54 + + +

+ + +

 sp. 255-15 + + +

 PCA + + +

 GS-15 + + +

 sp. MC-1 + + +

 KT + + + Silicobacter sp. TM1040[B] + + +

 2.4.1 + + + Idiomarina loihiensis L2TR + + + Oceanicola batsensisHTCC2597 + + + Rhodobacterales bacterium HTCC2654 + + + Roseovariusnubinhibens ISM [B] + + + Loktanella vestifoldensis SKA53 + + +Thiomicrospira crunogena XCL-2 + + + Sulfitobacter sp. EE-36 + + +Roseobacter sp. MED193 + + +

  + + +

Using a SEED tool that allows identification of protein families thatfollow a defined phylogenetic distribution profile, a search wasconducted of the available genomes for protein families that werepresent in organisms that lack folE homologs (Table 1, in bold) andabsent in E. coli. Five protein families fulfilled those phylogeneticcriteria, one of which, COG1469, was of unknown function. Members ofthis family clustered physically with folate metabolism genes in severalorganisms. The combination of phylogenetic distribution and clusteringsuggested that eh COG1469 family might encode the missing GCYH-I enzyme.

Further regarding the variation of the distribution, the first andlargest group, which includes E. coli, has only a folE homolog. A secondgroup, which includes S. aureus and N. gonorrhoeae, has only a folE2homolog. A third group, including B. subtilis and A. baylyi, has ahomolog of each gene, whereas a fourth group can possess multiple copiesof the two genes (e.g. Pseudomonas aeruginosa has two folE genes and onefolE2 gene). The need for several genes encoding type I cyclohydrolaseenzymes in many organisms may be due to differential expression underspecific environmental conditions or their involvement in pathways otherthan folate biosynthesis: for example, a GTP cyclohydrolase has beenimplicated in the biosynthesis of 7-deazaguanosine derivatives, such asthe modified tRNA nucleoside queuosine (Kuchino et al., 3 Nucl. Acids.Res. 393-98 (1976)), and the secondary metabolites toyocamycin andtubercidin. Suhadolnik & Uematsu, 245(17) J. Biol. Chem. 4365-71 (1970);Smulson & Suhadolnik, 242(12) J. Biol. Chem. 2872-76 (1967). In B.subtilis, it has been shown that the yciA gene is not essential (Gaballaet al., 184 J. Bacteriol. 6508-14 (2002)), because a folE gene (mtrA) isalso present in this organism. Yakhin & Babitze, 64(3) Appl. Microbiol.Biotech. 382-86 (2004). No folE2 deletions are available in bacteriathat do not have another identified folE gene; but construction of thecorresponding S. aureus mutant is possible.

Most archaeal genomes possess either a folE or a folE2 homolog. See ElYacoubi et al., 2006, Suppl. Data. Several GTP-derived metabolites aresynthesized in Archaea, including folate in the halophiles andSulfolobii (White, 170(10) J. Bacteriol. 4608-12 (1988)),tetrahydromethanopterin in the methanogens (Graham et al., 41(50)Biochem. 15074-84 (2002)), and the 7-deazaguanosine tRNA-modifiednucleoside archaeosine (Gregson et al., 268(14) J. Biol. Chem. 10076-86(1993)), which is found in the majority of archaeal tRNA. The archaealfolE/folE2 genes may be involved in one or more of these biosyntheticpathways.

As noted above, GCYH-IB has been identified in a wide variety ofbacteria using the techniques described herein. Table 2 illustrates someof this distribution:

TABLE 2 Distribution of genes encoding GCYH-1B in prokaryotes. Genomeand gene ids are found in the SEED database. Genome ID Organism GCYH-IB272557.1 Aeropyrum pernix K1 [A] 1635 224325.1 Archaeoglobus fulgidusDSM 4304 [A] 1168 64091.1 Halobacterium sp. NRC-1 [A] 1638 348780.3Nitrosamonas pharaonis DSM 2160 [A] 1042 18420.1 Methanothermobacterthermautotrophicus str. 1179 Delta H [A] 243232.1 Methanocaldococcusjannaschii 797 DSM 2661 [A] 267377.1 Methanococcus maripaludis S2 [A] 34259564.1 Methanococcoides burtonii DSM 6242 [A] 34 188937.1Methanosarcina acetivorans C2A [A] 4403 269797.3 Methanosarcina barkeristr. fusaro [A] 1194 2208.1 Methanosarcina barkeri [A] 3612 192952.1Methanosarcina mazei Go1 [A] 1222 190192.1 Methanopyrus kandleri AV19[A] 483 272844.1 Pyrococcus abyssi GE5 [A] 362 18497.1 Pyrococcusfuriosus DSM 3638 [A] 1881 69014.3 Thermococcus kodakaraensis [A] 1153263820.1 Picrophilus torridus DSM 9790 [A] 1009 273116.1 Thermoplasmavolcanium GSS1 [A] 1214 273075.1 Thermoplasma acidophilum DSM 1728 [A]1117

Importantly, in addition to S. aureus and N. gonorrhoeae, there aresignificant pathogens that have GCYH-IB but do not have GCYH-IA, asshown in Table 3:

TABLE 3 Clinically important pathogens with GCYH-IB and lacking GCYH-IA.Organism Pathogenic Indication Bordetella parapertussis 12822 Mammalianpathogen, respiratory Bordetella parapertussis 12822 tract infectionBordetella pertussis Tohama I Neisseria gonorrhoeae FA 1090 Humanpathogen, genital and urinary tract infection Neisseria meningitidisFAM18 Human pathogen, meningitis Neisseria meningitidis MC58 Neisseriameningitidis ZZ491 Staphylococcus aureus RF122 Human pathogen, blood andskin Staphylococcus aureus subsp. aureus infection, toxic shock syndromeCOL; subsp. aureus JH1; subsp. aureus MRSA252; subsp. aureus MSSA476;subsp. aureus MW2; subsp. aureus Mu50; subsp. aureus N315; subsp. aureusNCTC 8325; subsp. aureus USA300; subsp. Aureus Staphylococcusepidermidis Human pathogen, blood, skin, and ATCC 12228 Staphylococcusepidermidis RP62A catheter infection Staphylococcus haemolyticus Humanpathogen, skin infection JCSC1435 Staphylococcus saprophyticus Humanpathogen, acute urinary subsp. ATCC 15305 tract infection

The primary structure of GCYH-IB proteins presents no homology to anyother known protein family. Direct alignment of GCYH-IB and GCYH-IAsequences yields no detectable similarity. Protein fold recognitionanalysis using 1- and 3-dimensional sequence profiles, however, coupledwith secondary structure and solvation potential information (using the3D-PSSM server available on-line from the Structural BioinformaticsGroup at the Imperial College, UK; Kelley et al., 299(2) J. Mol. Biol.499-520 (2000)), indicates potential three-dimensional structuralhomology with two tunnel-fold (T-fold) enzymes, a structural superfamilyof enzymes that includes GCYH-IA. Colloc'h et al., 39(2) Proteins 142-54(2000). T-fold enzymes bind planar purine and pterin-like substrates butcatalyze disparate reactions (id.), and although they characteristicallyexhibit low sequence homology, their tertiary structural homology isvery high.

Using the N. gonorrhoeae sequence as a bait, the N-terminal half ofGCYH-IB is most similar in predicted tertiary structure to7,8-dihydroneopterin triphosphate epimerase (Protein Data Bank code 1B9L(44), PSSM E value 0.39), whereas the C-terminal half is similar to7,8-dihydroneopterin aldolase (DHNA; Protein Data Bank code 1NBU (45),PSSM E value 0.3). These were the only PSSM hits with a qualifying Evalue (i.e., lower than the detection threshold E value of 1.00). Bothhits are folate biosynthetic enzymes with homo-octameric structures.Both the size of GCYH-IB proteins (250-300 amino acids) and the factthat two T-fold domains can be detected in their sequences suggest thatGCYH-IB members belong to the bimodular subfamily of the T-foldsuperfamily, which includes urate oxidase (Colloc'h et al., 4(11) Nat.Struct'l Biol. 947-52 (1997)), the plant GCYH-IA enzyme (Basset et al.,99(19) PNAS 12489-94 (2002)), and the novel nitrile oxidoreductase(class 2; e.g. YqcD from E. coli) recently reported. Van Lanen et al.,102(2) PNAS 4264-69 (2005). Preliminary sedimentation velocity andcrystallographic analyses of N. gonorrhoeae GCYH-IB suggest either atrimeric or a tetrameric quaternary structure.

Of the enzymes involved in folate and biopterin biosynthesis, GCYH-IAhas attracted particular attention (Nar et al., 1995; Tanaka et al.,138(3) J. Biochem. (Tokyo) 263-75 (2005); Schramek et al., 316(3) J.Mol. Biol. 829-38 (2002); Bracher et al., 273(43) J. Biol. Chem.28132-141 (1998); Wolf & Brown, 192(3) Biochem. Biophys. Acta 468-78(1969)), due to the mechanistic complexity inherent in the conversion ofGTP to H2NTP. GCYH-IA activity is dependent on a catalytic Zn²⁺ atom(Auerbach et al., 97(25) PNAS 13567-72 (2000)), which functions as aLewis acid in activating a water molecule for nucleophilic attack at C-8of GTP in the initial hydrolytic step of the reaction. The Zn²⁺ furtherserves to facilitate nucleophilic attack of the second water molecule bypolarizing the resulting amide carbonyl. The zinc-binding site inGCYH-IA is made up of Cys110, His113, and Cys181 (E. coli numbering),with water occupying the fourth coordination site.

Hence, GCYH-IB was discovered in microbes (20% of bacteria and mostarchaea) that do not encode the canonical GCYH-I (renamed GCYH-IA),including several clinically important pathogens such as N. gonorrhoeaeand S. aureus. El Yacoubi et al., 2006. Importantly, GCYH-IB is absentin eukarya, including humans. A prediction of the 3D structure ofGCYH-IB showed that, like GCYH-IA, GCYH-IB enzymes are members of thetunnel-fold (T-fold) structural superfamily. GCYH-IB enzymes from T.maritima, N. gonorrhoeae, and B. subtilis have been cloned andfunctionally characterized in vitro. The metal dependency of GCYH-IB wasanalyzed in vitro and was found to be distinct from that of GCYH-IA,with manganese as the preferred metal cofactor. The preference formanganese of the N. gonorrhoeae enzyme is consistent with the fact thatthis pathogen had evolved unique and complex manganese-based cellularmechanisms for coping with the high oxidative stress environment imposedon it by the innate immune response of the female urogenital tract. Seibet al., 70(2) Bio. Reviews 344-61 (2006). The primary defenses used byN. gonorrhoeae against oxidative stress include the intracellularaccumulation of manganese by the MntABC transport system and theunusually high manganese-dependent catalase and peroxidase activities.The discovery of a manganese-dependent folate biosynthesis enzyme in N.gonorrhoeae paves the way to a new approach in targeting the folatebiosynthesis pathway for the development of anti-gonorrhea antibiotics.

The present invention provides for the crystal structures of N.gonorrhoeae GCYH-IB and of the manganese-remetallated form of theenzyme. The aspect of the present invention reveals the enyzme's activecenter, including a metal binding site, which are distinct from those ofthe canonical enzyme. The structural differences between human GCYH-IAand bacterial GCYH-IB in the active center, including those in the metalbinding site, suggest distinct enzymatic mechanisms. These differencesoffer the unique opportunity to design and test inhibitors specific tothe bacterial enzyme (GCYH-IB) that will not inhibit the human enzyme.

As noted above, the Zn²⁺-dependent enzyme GTP cyclohydrolase I (GCYH-I;EC 3.5.4.16) is the first enzyme of the de novo tetrahydrofolate (THE)biosynthesis pathway (FIG. 1). Nichol et al., 54 Ann. Rev. Biochem.729-64 (1985). THE is an essential cofactor in one-carbon transferreactions in the synthesis of purines, thymidylate, pantothenate,glycine, serine, and methionine in all kingdoms of life (id.) andformylmethionyl-tRNA in bacteria. Clark & Marcker, 17 J. Mol. Biol.394-406 (1966). GCYH-I is encoded in E. coli by the folE gene(Katzenmeier et al., 372 Biol. Chem. Hoppe Seyler 991-97 (1991)), andcatalyzes the conversion of GTP to 7,8-dihydroneopterin triphosphate, acomplex reaction that begins with hydrolytic opening of the purine ringat C-8 of GTP to generate an N-formyl intermediate, followed bydeformylation and subsequent rearrangement and cyclization of theribosyl moiety to generate the pterin ring in THF (FIG. 1). Yim & Brown,251 J. Biol. Chem. 5087-94 (1976). An active-site Zn²⁺ activates a watermolecule for nucleophilic attack at C-8 in the first step of thereaction.

The distribution of folE (gene product renamed GCYH-IA) and folE2(GCYH-IB) in microbes is diverse. El Yacoubi et al, 326 J. Mol. Biol.503-516 (2006). The majority of organisms possess either a folE (65%,e.g., E. coli) or a folE2 gene (14%, e.g., N. gonorrhoeae). Asignificant number (12%, e.g., B. subtilis) possess both genes (a subsetof 50 bacterial species is shown in FIG. 13), and 9% lack both genes,although members of the latter group are mainly intracellular orsymbiotic bacteria that rely on external sources of folate.

TABLE 4 Distribution and candidate Zur-dependent regulation ofalternative GCYH-I genes in bacteria^(a) Organism folE folE2Enterobacteria + − Escherichia coli + − Salmonella typhimurium + −Yersinia pestis +

Klebsiella pneumoniae ^(b) +

Serratia marcescens + − Erwinia carotovora + − Photorhabdusluminiscens + − Proteus mirabilis + − Gamma-proteobacteria Vibriocholerae + − Acinetobacter sp. ADP1 +

Pseudomonas aeruginosa +

Pseudomonas entomophila L48 +

Pseudomonas syringae +

Pseudomonas putida +

Hahella chejuensis KCTC 2396 +

Chromohalobacter salexigens DSM 3043 +

Methylococcus capsulatus +

Xanthomonas axonopodis +

Xanthomonas campestris +

Xylella fastidiosa +

− + Colwellia psychrerythraea + + Pseudoalteromonas atlantica T6c +

Pseudoalteromonas haloplanktis + + TAC125 Alteromonas macleodi + −Nitrosococcus oceani + + Legionella pneumophila + − Francisellatularensis + − Beta-proteobacteria Chromobacterium violaceum + −

− + Burkholderia cepacia R18194 +

Burkholderia cenocepacia AU 1054 +

Burkholderia xenovorans + − Burkholderia mallei + −

− + Ralstonia eutropha JMP134 + − Ralstonia metallidurans +

Ralstonia solanacearum + −

− +

− + Azoarcus sp. + + Bacilli/Clostridia Bacillus subtilis ^(d) +

Bacillus licheniformis +

Bacillus cereus + − Bacillus halodurans s +

Bacillus clausii + − Geobacillu kaustophilus + −

− +

− + ^(a)Genes that are preceded by candidate Zur binding sites are ongrey background; ^(b)Zur-regulated cluster ison the virulence plasmidpLVPK; ^(c)Examples of organisms with no folE genes are in bold;^(d)Zn-dependent regulation of B. subtilis folE2 by Zur wasexperimentally verified (Gaballa et al. 2002).

Expression of the folE2 B. subtilis gene, yciA, is controlled by theZn-dependent Zur repressor and should thus be up-regulated underZn-limiting conditions. Gaballa et al. 184 J. Bacteriol., 6508-6514(2002). Hence, the GCYH-IB family might utilize a metal other than Zn toallow growth in Zn-limiting environments. The metal dependence of B.subtilis GCYH-IB in vitro and in vivo was explored, revealing that thatin organisms that contain both isozymes such as B. subtilis, only theZn-dependent enzyme is expressed unless Zn becomes limiting. To gain astructural understanding of the metal dependence of GCYH-IB, thehigh-resolution crystal structures of Zn²⁺- and Mn²⁺-metallated forms ofthe N. gonorrhoeae ortholog were determined. The results shed light onthe regulation of folate biosynthesis in organisms exposed to differentmetal environments and offer a structural understanding of thisregulation.

GCYH-IB and GCYH-IA have different metal requirements in vitro. It iswell established that GCYH-IA uses a bound Zn²⁺ ion for activity. Nicholet al., 1985. To investigate the metal dependence of GCYH-IB, thepurified recombinant B. subtilis enzyme was assayed for activity in thepresence of a variety of metal ions or EDTA. Although no activity wasobserved in the presence of EDTA, the presence of several metal ionssupported catalysis. To obtain unambiguous, quantitative data on theeffect of various metal ions on catalytic activity, the enzyme was firstdemetallated by dialyzing against an EDTA/Chelex-containing buffer togenerate the apoenzyme, which was then assayed in the presence ofspecific metal ions over a broad concentration range. As shown in Table5, catalysis is supported by the metal ions Mn²⁺, Fe²⁺, Mg²⁺, Co²⁺,Zn2⁺, and Ni²⁺, conversely Ca²⁺, Cd²⁺, Cu²⁺, Co³⁺, and Fe³⁺ fail tosupport activity:

TABLE 5 Metal dependence of B. subtilis GCYH-IB enzymatic activity Metal[Metal]^(a) (μM) Relative Activity (%) No Metal 0 0 Mn(II) 500 100 Fe(II) 1000 75 ± 8 Mg(II) 100 43 ± 4 Co(II) 100 24 ± 3 Zn(II) 50 14 ± 1Ni(II) 100  9.8 ± 1.3 Ca(II) NA^(b) 0 Cd(II) NA 0 Cu(II) NA 0 Co(III) NA0 Fe(III) NA 0 ^(a)The metal concentration for optimal activity. ^(b)NArefers to no activity detected regardless of metal concentration.

Notably, although the enzyme exhibits some activity in the presence ofZn²⁺, catalysis is significantly higher in the presence of Mn²⁺, and toa lesser extent Fe²⁺ and Mg²⁺. Interestingly, the optimum metalconcentration required for catalysis is roughly 10-fold lower for Zn²⁺than it is for Mn²⁺ (FIG. 10, Table 5), suggesting that although Mn²⁺ ismore effective in supporting catalysis, it binds with lower affinitythan does Zn²⁺.

The presence of both Zn²⁺ and Mn²⁺ in a reaction assay results indiminished activity (i.e. Zn²⁺ is an inhibitor versus Mn²⁺, Table 6).All of the metals bind the enzymes with low affinity, such that runningthe protein over a G-25 column or dialyzing against metal free bufferremoved the protein bound metal.

TABLE 6 The effect of zinc upon B. subtilis and N. gonorrhoeae GCYH-IBactivity when assayed in the presence of 600 μM Mn(II). Data expressedas relative activity (%). [zinc] μM B. subtilis N. gonorrhoeae 0 100 1000.5 84 93 1 41 68 2 34 57 4 35 47 10 35 53 20 26 45 40 23 45

To understand the structural basis of the unique metal requirement ofGCYH-IB, the crystal structure in two forms: one of the recombinantenzyme purified in solutions lacking added metal (GCYH-IB, PDB ID 3D1T),and one of the apoenzyme remetallated with manganese (GCYH-IB.Mn, PDB ID3D2O) were determined. Enzymes from both B. subtilis and N. gonorrhoeaewere pursued for crystallization, but only the N. gonorrhoeae orthologproduced diffracting crystals. The two orthologs are 64% similar and 35%identical in sequence and possess similar biochemical properties invitro.

The crystal structure of GCYH-IB was determined by seleno-MAD methods(FIG. 2, Tables 7 and 9). Two monomers, A and B, were identified in theasymmetric unit. The final structure is missing residues 1-13 of monomerA and residues 1-14 of monomer B of the total 257 amino acids in eachmonomer, and contains two Zn²⁺ ions and one acetate molecule. Ahomotetrameric complex representing the biological state of the enzyme.El Yacoubi et al. 281 J. Biol. Chem., 37586-37593 (2006) could begenerated from the asymmetric-unit dimer by a crystallographic 2-foldrotation operation (FIG. 2A). (32% of the total monomeric surface isburied in the homotetramer). The monomer is a globular subunit composedof 9 β-strands and 6 α-helices (FIG. 3A), of which 8 sequentialantiparallel (3-strands (β1-β6, β8 and β9) and four antiparallelα-helices (α1, α2, α4 and α6) form a core with the classic tunnelingfold (T-fold) architecture characteristic of bimodular pterin and purinebinding enzymes. Colloc'h et al. 39 Proteins, 142-154 (2000). In thiscore, a highly twisted eight-stranded β-sheet is layered on its concaveside with four antiparallel α-helices. The dimer of the asymmetric unitis constructed by a cyclic arrangement of the two eight-strandedβ-sheets from the two monomers to form a sixteen-stranded antiparallelβ-barrel. In the biological homotetramer, two β-barrels join togetherhead-to-head to form a central tunnel that is 60 Å long and 17 Å indiameter (FIG. 2A).

A search for similar structures was done using the DALI search engineand the FSSP database (fold classification based on structure-structurealignment of proteins). Holm & Sander 233 J. Mol. Biol. 123-38 (1993).Several bimodular T-fold enzymes were identified, as well as GCYH-IA(FIG. 3C), a unimodular T-fold enzyme. The best fit was to A. flavusurate oxidase. Retailleau et al., 60 Acta Crystallogr. D 453-62 (2004)(PDB ID 1UOX, r.m.s.d. 3.4 Å over 197 C_(α) atoms, FIG. 3B) that followsa similar β8α4 topology.

Comparison of GCYH-IA and GCYH-IB structures shows that GCYH-IB is ahomotetramer built around a bimodular β8α4 T-fold core and GCYH-IA is ahomodecamer β4α2 unimodular T-fold enzyme. Pairwise structuralcomparison of the monomeric subunits of GCYH-IB and E. coli GCYH-IA(Rebelo et al., 326 J. Mol. Biol. 503-16 (2003)) (PDB ID 1FBX) using theDaliLite server (Holm & Park 16 Bioinformatics, 566-567 (2000)) yieldedan alignment strictly in the four β-strands and two α-helices (β2, β3,β6, β7, α6, α7 of GCYH-IA, and β5, β6, β8, β9, α4, α6 of GCYH-IB) of theT-fold (r.m.s.d. 3.2 Å over 94 C_(α) atoms, FIG. 3C). Based on thisalignment, a multi-sequence alignment of the two enzyme subfamilies inthe shared core region was generated (15 sequences of each, FIG. 4).With the exception of a conserved cysteine involved in metal binding inboth subfamilies (Cys147 in GCYH-IB), the new alignment differssignificantly from previously reported alignment that was based onsequence information and predicted tertiary structure.

In the current alignment, the two subfamilies exhibit 28% sequencesimilarity and only two invariant residues; the metal and substrateliganding residues Cys147 and Glu216 (N. gonorrhoeae numbers),respectively. This unusually low primary structure homology, comparedwith 7%-17% identity and 39%-53% similarity between T-fold enzymes ingeneral, explains improper annotation of GCYH-IB genes in genomicdatabases and limited success in previous attempts to generate a modelof the tertiary structure by sequence-based homology modeling (ElYacoubi et al, 2006).

In addition to the absence in GCYH-IB of the N- and C-terminal domainsfound in GCYH-IA (FIGS. 3A and 3C), the following functionally importantdifferences are seen in the T-fold domain, specifically in the activesite: (a) insertion in GCYH-IB of a two turn α-helix (α3) between thefirst two strands (β5 and β6) of the common T-fold β-sheet (FIG. 3A, 3Cand FIG. 4). This change results in the loss of the Zn²⁺ binding loopC110EHH113 found in GCYH-IA, with the exception of the Cys (FIG. 4); (b)Insertion in GCYH-IB of a β-strand (β7) and α-helix (α5) between the twoα-helices (α4 and α6) of the T-fold (FIG. 3A, 3C and FIG. 4). β7 and α5are part of the inter-subunit interface that harbors the active site.Significantly, α5 provides the strictly conserved Glu201 as acarboxylate ligand to the active-site metal ion in GCYH-IB; and (c)Deletion in GCYH-IB of helix α8 found in the T-fold domain of GCYH-IA(FIGS. 3A, 3C, and FIG. 4). Importantly, α8 contains the second Cysligand to Zn²⁺ in GCYH-IA. This Cys is missing in GCYH-IB and the helixis replaced with a β-turn containing strictly conserved Glu243, His246and His248.

Rearranged metal binding site and accommodation of Mn²⁺; as in GCYH-IA,the active site of GCYH-IB is located at the interface between threesubunits (Table 10 and Table 11). Two of the four active sites in theGCYH-IB homotetramer are partially disordered in the crystal. The activesite encompasses the metal binding site and the putative GTP bindingpocket with the conserved Glu216 that serves to anchor the substrateguanine moiety, a characteristic feature of all T-fold proteins(Colloc'h et al, 2000).

The presence of bound Zn²⁺ in the GCYH-IB crystal (grown with noadditional Zn in the crystallization buffer) was confirmed by an X-rayfluorescence scan near the Zn absorption edge (see FIG. 12A) and an omitFo-Fc map (FIG. 5A). Zn²⁺ is bound in a trigonal bipyramidal geometryand is coordinated by the thiol group of Cys147, side-chain oxygen atomof Glu201 from the neighboring subunit, and an oxygen atom from a boundacetate molecule (present in the protein sample at 50 mM) as equatorialligands, and Nε of His159 and a water molecule as the bottom and topaxial ligands, respectively (FIGS. 5A and 6 and Table 10). The averageZn²⁺-to-ligand distance is 2.4 Å. In its current position, the acetatemolecule may mimic one of the cyclohydrolase reaction transition statesthat are subsequent of the opening of the substrate guanosine ring. Theliganding side chains, their positions in the Zn²⁺ coordination sphereand the protein secondary structure elements in which they lie aredifferent from those seen in GCYH-IA (FIG. 4, 6, and Table 10). In T.thermophilus and E. coli GCYH-IA (PDB ID 1WM9, Rebelo et al., 326 J.Mol. Biol. 503-516 (2003); Tanaka et al., 138 J. Biochem. 263-275(2005)), Zn²⁺ is coordinated by two thiol groups and a histidine sidechain (Cys110, Cys181, His113 in E. coli residue numbers), all from thesame subunit. These side chains come from the loop between the first twoβ-strands of the T-fold (β2 and β3 in Ec-GCYH-IA nomenclature) and ashort α-helix (α8) (FIG. 4). In GCYH-IB, the metal binding site isformed by the helix-loop insertion (α3) between the first two β strandsof the T-fold (β5 and β6) and the helical insertion α5 from theneighboring subunit.

Crystals of GCYH-IB remetallated with Mn²⁺ (GCYH-IB.Mn) were grown usingZn-free reagents. The presence of bound Mn²⁺ was confirmed with an X-rayemission spectrum and fluorescence scan near the Mn absorption edgefollowing a wash and 1-hr back-soak of the crystal in metal-freesolution (see FIGS. 12B and 12C). The crystal structure was determinedby difference Fourier methods using model phases from theZn²⁺-metallated structure (Tables 7 and 9 and Table 11). The twostructures are similar and superpose with r.m.s.d. 0.3 Å over 486 Cαatoms. Metal coordination and distances are also similar except for thereplacement of acetate with azide (added to the acetate-free proteinsample at 12 mM concentration prior to crystallization) as an equatorialligand to Mn²⁺ (FIG. 5B and Table 11).

The Zur dependent regulation of folE2 is conserved across bacterialspecies. The biochemical and structural analyses of B. subtilis and N.gonorrhoeae GCYH-IB suggest that Zn is not the physiological metal forthis family of cyclohydrolases. The expression of GCYH-IB in B. subtilisis controlled by the Zn-dependent Zur repressor and is thus up-regulatedunder Zn-limiting conditions. Gelfand et al., 1 Brief Bioinform 357-71(2000). To check if orthologs of folE2 in other bacteria are similarlysubject to Zur-mediated control, bacterial regulons were analyzed usinga comparative genomics approach. Gelfand et al, 2000; Rodionov, 107Chem. Rev. 3467-97 (2007). Annotation of the folE and folE2 genes inavailable genomes had been performed previously. Two position-specificweight matrices (PWMs) were constructed for known Zur binding sites fromGram-positive and Gram-negative bacteria (Panina et al., 100 Proc NatlAcad Sci USA 9912-17 (2003)), and were used to scan for candidate Zurbinding sites in 5′-untranslated regions (UTRs) of folE2 and neighborgenes in bacterial genomes. To account for possible operon structures,UTRs of genes located immediately upstream of folE2 in the genomes werealso analyzed.

Strong Zur operator sites were identified upstream of folE2 genes intwenty-one bacterial genomes (Table 4, FIG. 13). This unique regulatoryfeature is conserved across phyla including examples in fifteenγ-proteobacteria (Pseudomonadales, Xanthomonadales, some Enterobacteria,and other lineages), three β-proteobacteria (some Burkholderiales), andthree Bacillus species. Notably, all organisms that have theZur-regulated folE2 gene also contain a copy of folE (e.g., B.subtilis). Similarly, no Zur regulatory sites were found upstream offolE2 genes in those organisms that lack the Zn-dependent GCYH-IAisozyme (e.g., N. gonorrhoeae). These results show that Zur regulationof GCYH-IB is widespread and suggest that, in some bacteria, the GCYH-IBisozyme is expressed under Zn-limiting conditions to replace theZn-dependent GCYH-IA.

GCYH-IB can functionally replace GCYH-IA in B. subtilis, which has boththe folE and folE2 genes (also known as mtrA and yciA, respectively). Todetermine whether GCYH-IB can functionally replace GCYH-IA, a B.subtilis ΔfolE mutant strain was constructed and its complementationwith GCYH-IB investigated. Wild-type B. subtilis grows well in rich (LB)medium (FIG. 11, diamonds). As reported previously (Babitzke et al., 174J. Bacteriol. 2059-64 (1992)), the ΔfolE mutant strain, expressing onlyGCYH-IB, is a thymidine (dT) auxotroph. In the absence of dT, it growsonly with a reproducible lag in rich medium (FIG. 11, squares). Poorgrowth of the ΔfolE mutant strain in log phase is consistent withrepression of GCYH-IB expression under these conditions. Growthcommences in stationary phase and reflects derepression of GCYH-IB whencells become Zn-starved and Zur repression is released. Indeed, deletingthe zur gene, as in the Δzur ΔfolE double mutant where GCYH-IB isconstitutively expressed, eliminates the growth lag in rich medium (FIG.11, triangles). As expected, the ΔfolE Δzur ΔfolE2 triple mutant strain,expressing no GCYH-I, is unable to grow (FIG. 11, closed circles), noris the ΔfolE ΔfolE2 double mutant strain. For either strain, growth canonly be partially restored by the addition of dT (FIG. 11, open circles)or all of the folate-derived metabolites. The rather poor dT rescue ofthese two mutant strains may be due to deficient formylated methioninebiosynthesis. These results indicate that GCYH-IB functionally replacesGCYH-IA in B. subtilis under Zn-limiting conditions.

Sequence conservation indicates that metal-dependent catalysis is aproperty of the GCYH-IB enzyme family in general, with Mn²⁺, not Zn²⁺,possibly the preferred metal in vitro. Indeed, metal catalysis has beenobserved with GCYH-IB orthologs from N. gonorrhoeae and T. maritima, andfrom M. jannaschii (Grochowski et al., 46 Biochem. 6658-67 (2007)),which exhibits optimal activity in the presence of Fe²⁺. The structuraldifferences between GCYH-IA and -IB enzymes in the active-site regioncontribute to creating a new metal functionality in GCYH-IB. Forexample, the introduction of an acidic side chain (Glu201) in the metalsite of GCYH-IB allows accommodation of Mn²⁺ which favors oxygen ligandsmore than Zn²⁺. Further, the contribution of a neighboring subunit tothe metal site suggests possible posttranslational regulation bymetal-induced oligomerization as seen in DHNA. Goulding et al., 349 J.Mol. Biol. 61-72 (2005). The metal ion likely serves to activate thenucleophile water molecule in the first step of the reaction and tostabilize the formyl intermediate, as in GCYH-IA. Tanaka et al, 2005.

The differences in the active-site architecture and associated metaldependence between GCYH-IA and -IB may reflect differences in catalyticstrategies for the two enzyme families. The presence of acetate andazide as exogenous metal ligands in the Zn²⁺- and Mn²⁺-metallated enzymestructures, respectively, is a result of sample preparation conditionsand does not reflect specificity to the type of metal. The acetateligand may mimic the reaction formyl intermediate or formic acid as aleaving group. The azide ligand may represent a moiety in atransition-state intermediate occurring in a later step, e.g., duringthe Amadori rearrangement that takes place after guanine and ribose ringopening.

Zinc is an essential cofactor for numerous proteins. In Bacteria andEukaryotes, cellular Zn²⁺ levels are sensed by specific transcriptionfactors (the repressor Zur in B. subtilis and E. coli, the activatorZap1p in S. cerevisiae). Hantke, 8 Curr. Opin. Microbiol. 196-202(2005); Lyons et al., 97 Proc. Nat'l Acad. Sci. USA 7957-62 (2000);Moore & Heimann, 8 Curr. Opin. Microbiol. 188-195 (2005). Cellularresponses to low Zn²⁺ conditions include increased expression ofhigh-affinity Zn²⁺ transporters such as ZnuABC, and substitution ofZn²⁺-dependent enzymes with alternative isozymes that do not rely onthis metal ion as a cofactor. Examples of the latter strategy includeZn²⁺-dependent regulation of the alcohol dehydrogenase isozyme ADH4 inyeast (Lyons et al., 2000), and paralogs ofribosomal proteins (e.g., L31and L33) in B. subtilis and Streptomyces coelicolor. Nanamiya et al., 52Mol. Microbiol. 273-83 (2004); Panina et al, 2003; Shin et al., 189 J.Bacteriol. 4070-77 (2007).

Similarly, results from the work presented herein indicate that theupregulation of B. subtilis GCYH-IB when Zn²⁺ is low serves to allowutilization of metal ions other than Zn²⁺ for folate synthesis. On theother hand, N. gonorrhoeae (and several other pathogens) do not possessthe Zn-dependent GCYH-IA isozyme and instead rely solely on GCYH-IB forfolate synthesis. Consistently, they do not have Zur regulatory sitesupstream of the folE2 gene. N. gonorrhoeae live in the highly oxidizingenvironment created by the host immune response and, to survive in thischallenging environment, they accumulate millimolar levels of manganese,an effective scavenger of reactive oxygen species (ROS), in thecytoplasm. Seib et al., 70 Microbiol. Mol. Biol. Rev. 344-61 (2006). Asimilar utilization of Mn to fight ROS damage resulting from radiationexposure occurs in D. radiodurans. Daly et al., 306 Science 1025-28(2004). Presumably, the ready availability of Mn²⁺ makes a Mn-dependentfolate biosynthesis pathway more advantageous for these organisms.Further, a recent report shows that the innate immune system in micefights S. aureus infections by inhibiting microbial growth in tissueabscesses through chelation of Mn²⁺ and Zn²⁺ by the neutrophil-derivedprotein calprotectin, depriving the bacteria of essential nutrients.Corbin et al., 319 Science 962-65 (2008). It is possible that thisdefense strategy targets, among other cellular processes, folatesynthesis in S. aureus, an organism that depends solely on GCYH-IB forfolate synthesis and lacks GCYH-IA (FIG. 13). Hence, the distinctstructure and metal dependence of GCYH-IB and its absence in humans maymake it an attractive target for the development of new antibioticagents.

The structural information disclosed herein is useful analysis ofbinding interactions with a ligand, e.g., for discovery of smallmolecule antibiotic agents. Such data is useful for a number ofpurposes, including the generation of structures to analyse themechanisms of action and/or to discover or perform rational drug designof active compounds. For example, a search of several small-moleculestructural data bases such as Available Chemicals Directory, CambridgeCrystallographic Database, Fine Chemical Database and CONCORD databaseis carried out using parameters derived from the crystal structure. Thesearch can be 2-dimensional, 3-dimensional or both and can be done usinga combination of software such as UNITY version 2.3.1 (Tripos, Inc,),MACCS 3D, CAVEAT and DOCK, Conformational flexibility of the smallmolecules is allowed. The strategy for conducting the search takes intoaccount conformations and/or key residues in the combining site.

As discussed above, the structural information can be stored on acomputer-readable medium. The invention therefore provides systems,particularly a computer system, the systems containing the atomicco-ordinate data of any one of the tables below, or selectedco-ordinates thereof. The computer system may comprise: (i) acomputer-readable data storage medium comprising data storage materialencoded with the computer-readable data; (ii) a working memory forstoring instructions for processing said computer-readable data; and(iii) a central-processing unit coupled to said working memory and tothe computer-readable data storage medium for processing saidcomputer-readable data and thereby generating structures and/orperforming rational drug design. The computer system may furthercomprise a display coupled to the central-processing unit fordisplaying, said structures. The computer system may contain one or moreremote devices. The remote device may comprise e.g. a computer system orcomputer readable media of one of the previous aspects of the invention.The device may be in a different country or jurisdiction from where thecomputer-readable data is received. The communication with a remotedevice may be via the internet, intranet, e-mail etc, transmittedthrough wires or by wireless means such as by terrestrial radio or bysatellite. Typically the communication will be electronic in nature, butsome, or all, of the communication pathway may be optical, for example,over optical fibers. The data received may then be used in acomputer-based method for the analysis of the interaction of a ligand asdiscussed above.

EXAMPLES Example 1 Bioinformatics

Analysis of the folate subsystem was performed in the SEED data base(Overbeek et al., 33(17) Nucl. Acids Res. 5691-5702 (2005)) with SEEDversion cvs.1144925141 (05:45:41 on Apr. 13, 2006) (available on theinternet at, for example, the “.org” site of the National MicrobialPathogen Data Resource (NMPDR). Results are made available in the“Folate Biosynthesis Subsystem” on the publicly available server(available on the internet at the SEED cite of the University ofChicago). The phylogenetic pattern search was performed on the SEEDserver located on the NMPDR website.

Example 2 Cloning of Thermotoga maritima, Neisseria gonorrhoeae, andBacillus subtilis COG1469 Genes for GCYH-IB Protein Expression

The COG1469 genes from T. maritima (TM0039; GenBank™ accession numbergi|15642814), N. gonorrhoeae (ngo0387; GenBank™ accession numbergi|59800831), and B. subtilis (yciA; GenBank™ accession numbergi|2632620) were amplified by PCR from genomic DNA of the respectiveorganisms. The primers have been included in Ser. No. 60/935,124 andpublished in El Yacoubi et al., 2006.

The PCRs contained 500 ng of genomic DNA, 200 μM dNTPs, 50 pmol of thesense and antisense primers, 1×Pfu Ultra buffer (supplied by themanufacturer), and 2.5 units of Pfu Ultra DNA polymerase in a finalvolume of 50 μl. A three-step PCR thermocycling protocol was utilized:(1) 94° C. for 1 min; (2) 30 cycles of denaturation at 94° C. for 1 min,annealing at 50° C. for 2 min, and extension at 72° C. for 1 min; (3)72° C. for 4 min. The PCR product was purified from a 1% agarose gelcontaining ethidium bromide using the Qiagen Inc. PCR purification kitand cloned into a linearized pET-30 Xa/LIC expression vector (Novagen).The primary structures of the resulting constructs, pSAB-7-189 (T.maritima), pSAB-8-142 (N. gonorrhoeae), and pSAB-9-61 (B. subtilis),were confirmed by sequencing.

Example 3 Cloning of the T. maritima, Acinetobacter baylyi, and B.subtilis COG1469 Genes for Complementation

pTM0039 expressing the TM0039 gene under PBAD control (Klock et al.,6(2-3) J. Struct. Genomics 89-94 (2005)) was a kind gift of the JointCenter for Structural Genomics (La Jolla, Calif.). The COG1469 genesfrom B. subtilis (yciA) and A. baylyi (ACIAD1740 gi|50084892) werecloned in pBAD24. Guzman et al., 177(14) J. Bact. 4121-30 (1995). Theprimers have been included in Ser. No. 60/935,124 and published in ElYacoubi et al., 2006. PCR products were obtained and purified asdescribed above and then digested with NcoI/XbaI before ligation intoplasmid pBAD24 (Guzman et al., 1995) digested with the sameendonucleases and transformed into Topo10 cells (Invitrogen). Theprimary structures of the resulting constructs, pBY142.1 (expressing A.baylyi ACIAD1740) and pBY143.1 (expressing B. subtilis yciA), wereconfirmed by sequencing.

These plasmids, as well as pBAD24 and pTM0039, were transformed into theE. coli folE::KanR strain. Klaus et al., 280(46) J. Biol. Chem. 38457-63(2005). The transformants were plated on LB supplemented with dT,ampicillin and kanamycin, and screened for the capacity to grow on LBwithout dT in the presence of various concentrations of arabinose. Toconfirm the presence of the folE::Kan^(R) allele and of the pBADderivatives in the transformants, the colonies were analyzed by PCRusing the oligonucleotides located upstream and downstream from the folEgene and ChkDfolE-ol2 or located upstream and downstream of thepolylinker in the pBAD derivatives and pBADol5 as described in Ser. No.60/935,124 and published in El Yacoubi et al., 2006.

Example 4 Purification and Overexpression of Recombinant T. maritima, N.gonorrhoeae, and B. subtilis GCYH-IB Proteins

The plasmids pSAB-7-189, pSAB-8-142, and pSAB-9-61 were transformed intoE. coli BL21 (DE3) for expression of His6 tag fusion proteins. Culturesof the transformed cells were grown at 37° C. with shaking (250 rpm)until an A600 of 0.9 was attained. Isopropyl-D-thiogalactopyranoside wasadded to a final concentration of 0.1 mM, and the cultures wereincubated for an additional 4 h at 37° C. with shaking (250 rpm). Thecells were harvested by centrifugation at 5000×g for 10 min at 4° C. Thecell paste was flash frozen in liquid nitrogen and stored at −80° C.until needed.

Frozen cell paste was thawed and suspended in lysis buffer (50 mM Trisacetate (pH 8.0), 50 mM KCl, and 1 mM-mercaptoethanol) at aconcentration of 250 mg/ml. The cells were lysed by the addition oflysozyme and DNase to a final concentration of 0.25 mg/ml and 10 μg/ml,respectively. The lysate was centrifuged at 15,000×g for 30 min at 4°C., and the resulting supernatant was filtered (low protein binding,0.45 μm). The cell-free extract was loaded onto an Ni²⁺-nitrilotriaceticacid-agarose column (Qiagen) that had been equilibrated with Buffer A(100 mM Tris-acetate (pH 8.0), 300 mM KCl, 2 mM β-mercaptoethanol, 1%Triton X-100, 1 mM phenylmethylsulfonyl fluoride, and 10% glycerol). Thecolumn was washed with five column volumes of Buffer A, five columnvolumes of Buffer B (100 mM Tris acetate (pH 8.0), 300 mM KCl, 2 mMβ-mercaptoethanol, 1% Triton X-100, 1 mM phenylmethylsulfonyl fluoride,10% glycerol, and 20 mM imidazole), and finally five column volumes ofBuffer C (100 mM Tris acetate (pH 8.0), 300 mM KCl, 2mM-mercaptoethanol, 10% glycerol, and 20 mM imidazole). The protein waseluted from the column with ten column volumes of Buffer C containing250 mM imidazole. The protein was concentrated in a Centricon YM-10ultracentrifugation device and dialyzed at 4° C. against 50 mM Trisacetate (pH 8.0), 50 mM KCl, and 4 mM dithiothreitol.

The His6 tag was cleaved from the T. maritima, N. gonorrhoeae, and B.subtilis GCYH-IB proteins in reactions that contained fusion protein (20mg), Factor Xa protease (20 μg), 50 mM Tris acetate (pH 8.0), 100 mMKCl, 2 mM CaCl₂ in a final volume of 1 ml. After incubating for 20 h atroom temperature, the reactions were loaded onto a column containing 2ml of Ni2+-nitrilotriacetic acid-agarose equilibrated in Buffer A.Wild-type protein was eluted from the column with ten column volumes ofBuffer A. The protein was concentrated and dialyzed against 50 mM Trisacetate (pH 8.0), 50 mM KCl, and 10% glycerol.

Example 5 COG1469 Genes Complement an E. coli folE Mutant

Because folate is not transported in most bacteria (Skold et al., 2000),it can not be supplied in the medium to enable growth of a folateauxotroph. On rich medium, however, all of the folate-derivedmetabolites are present in sufficient quantities except for dT, allowinga folE mutant to be maintained on LB/dT. Klaus et al., 2005; Yakhin &Babitzke, 2004. Nevertheless, the E. coli fo/E::KanR strain has a slowgrowth phenotype on LB/dT (colonies take two days instead of one day toform at 37° C.), presumably due to the absence of formylation of theinitiator tRNA. The folE::KanR strain was transformed with pBADderivatives expressing the COG1469 homolog from T. maritime (TM0039).

Although complementation of both the dT auxotrophy and the slow growthphenotype was observed (FIG. 8C), was not robust, and depended on higharabinose levels. This is not surprising because T. maritima is athermophile, and many of the enzymes from thermophiles exhibit lowactivity at 37° C. To achieve better complementation, the COG1469orthologs from the mesophiles B. subtilis and A. baylyi (formally knownas Acinetobacter sp. ADP1) were cloned and transformed into the E. colifolE::KanR strain. Robust complementation of dT auxotrophy (FIG. 8A) andpoor growth (FIG. 8B) were observed with these constructs, which isconsistent with GCYH-IB family proteins catalyzing GCYH-I activity.

Example 6 GCYH-IB Proteins have GCYH-I Activity In Vitro

In parallel with the in vivo experiments, COG1469 genes were cloned intoprotein expression vectors to allow unambiguous assignment of catalyticfunction through the direct investigation of putative GTP cyclohydrolaseI activity with in vitro enzymatic assays of purified proteins. Thus,the genes encoding GCYH-IB proteins from T. maritima, N. gonorrhoeae,and B. subtilis were cloned from genomic DNA into the pET30 system, andthe recombinant His6 fusion proteins were overproduced and purified. Allthree of the recombinant proteins were obtained as soluble, activeenzymes both as the His6 fusion and the cleaved wild type.

Radiochemical assays using [8-¹⁴C]GTP (Vim et al., 1976), of each of theGCYH-IB proteins, along with E. coli FolE as a positive control,demonstrated that [¹⁴C]formate was released in each assay and that itsproduction was both time- and enzyme-dependent, consistent withenzyme-catalyzed hydrolytic ring opening and deformylation at C-8 ofGTP. From these data, specific activities of 2.3 min⁻¹ mg⁻¹ to 5.3 nmolmin⁻¹ mg⁻¹ were calculated for the GCYH-IB proteins, roughly an order ofmagnitude lower than that reported for FolE (Bracher et al., 274 J.Biol. Chem. 16727-35 (1999); Kolinsky & Gross, 279(39) J. Biol. Chem.40677-82 (2004); Rebelo et al., 326(2) J. Mol. Biol. 503-16 (2003)) andthe FolE control. To confirm that the product of the GCYH-IB catalyzedreactions was in fact 7,8-dihydroneopterin triphosphate, the enzymeassays were analyzed with UV-visible (Bracher et al., 40(26) Biochem.7896-902 (2001)) and fluorescence spectroscopy. (Hatakeyama & Yoneyama,100 Methods Mol. Biol. 265-72 (1998)). FIG. 9A shows UV-visible spectrafor enzyme assays of E. coli FolE and GCYH-IB proteins under standardGTP cyclohydrolase I assay conditions. The spectra are essentiallyidentical, with the characteristic absorption spectrum of GTP replacedby that of H₂NTP. Bracher et al., 2001. When enzyme assays weresubjected to post-reaction dephosphorylation and oxidation to convertthe putative enzymatically produced H₂NTP to the fluorescent neopterin,the fluorescent spectra from the GCYH-IB assays were identical to thespectrum of the E. coli FolE assay (FIG. 9B) and to that of authenticneopterin. Hatakeyama & Yoneyama, 1998.

Furthermore, HPLC analysis of the enzyme assays after dephosphorylationshowed that the product from each enzyme-catalyzed reaction had the sameretention time as authentic neopterin (under the analysis conditionsdihydroneopterin is oxidized to neopterin) (FIG. 9C). Finally, massspectrometry analysis of the E. coli FolE and N. gonorrhoeae GCYH-IBreactions revealed identical constituents, with ions corresponding toGTP (m/z 522, M-H⁻; m/z 544, M−2H⁻+Na⁺; m/z 566, M−3+2Na⁺), neopterintriphosphate (m/z 492, M-H⁻; under the conditions of the analysisdihydroneopterin is oxidized to neopterin), and neopterin cyclicmonophosphate (m/z 314, M-H⁻; it has been previously documented thatunder the alkaline conditions of the work-up neopterin triphosphate isconverted to the cyclic monophosphate. Basset et al., 99(19) PNAS12489-94 (2002); Cone & Guroff, 246(4) J. Biol. Chem. 979-85 (1971);Plowman et al., 249(17) J. Biol. Chem. 5559-64 (1974).

Taken together, the data clearly demonstrate that the GCYH-IB proteinscatalyze GTP cyclohydrolase I activity, and thus they represent a newstructural class of GTP cyclohydrolase enzymes, distinct from thecanonical GCYH-I enzyme exemplified by human and E. coli FolE. Todifferentiate these two cyclohydrolase families, the canonical type Icyclohydrolase may be renamed GCYH-IA, that the COG1469 family be namedGCYH-IB, and that their corresponding genes be denoted as folE andfolE2, respectively.

Example 7 Over-Expression and Purification of Selenomethionine(SeMet)-Labeled N. gonorrhoeae GCYH-IB (Ng-GCYH-IB)

Ng-GCYH-IB was cloned in pET-30 Xa/LIC expression vector (Novagen, SanDiego, Calif.) as described previously. El Yacoubi et al., 2006.SeMet-labeled Ng-GCYH-IB was over-expressed in the E. coli methionineauxotroph B834(DE3) (Novagen) following standard methods. Hendrickson etal., 9(5) Eur. Mole. Biol. Org. J. 1665-72 (1990). The His₆-taggedprotein was purified on Ni-NTA resin (washed with Tris acetate (100 mM,pH 8.0), KCl (300 mM), β-mercaptoethanol (2 mM), glycerol (10%), andimidazole (20 mM)), and eluted with the same buffer containing 250 mMimidazole. After concentration and dialysis against Tris acetate (50 mM,pH 8.0), KCl (50 mM), and dithiothreitol (4 mM), the His₆ tag wascleaved from the enzyme with Factor Xa as described previously (ElYacoubi et al., 2006) and SeMet-labeled wild-type Ng-GCYH-IB was furtherpurified on a Ni-NTA column and eluted with ten column volumes ofTris-acetate (100 mM, pH 8.0), KCl (300 mM), β-mercaptoethanol (2 mM),Triton X-100 (1%), phenylmethylsulfonyl fluoride (1 mM), and glycerol(10%). After concentrating to 5.5 mg/mL, the protein was dialyzedagainst Tris-Acetate (50 mM, pH 8.0), KCl (100 mM) and β-mercaptoethanol(5 mM) and further concentrated to 9 mg/mL. Selenium substitution wasverified with mass spectrometry using MALDI-TOF analysis.

Example 8 Crystallization and X-Ray Data Collection

SeMet-labeled GCYH-IB was crystallized at 20° C. by vapor diffusion in 2μL sitting drops containing enzyme (9 mg/mL in 50 mM Tris-Acetate, 100mM KCl, 5 mM BME, pH 8.0), polyethylene glycol 6000 (10-16%), LiCl(1-1.4 M), Tris (50 mM, pH 9.0) and Tris-HCl (50 mM, pH 7.0). TheMn-reconstituted enzyme (10 mg/mL in 50 mM Tris-HCl, 50 mM KCl, 1 mMDTT, pH 8.0) was crystallized under similar conditions but usingmetal-free reagents (Chelex-100-pretreated Milli-Q water and ultra purereagents from Hampton, Inc.) with 1-10 mM MnCl₂ and 12 mM sodium azide(as a preservative) added to the protein solution prior tocrystallization.

Crystals were cryo-protected in mother liquor plus ethylene glycol (25%)and flash cooled in liquid nitrogen. For the SeMet-labelled enzyme, athree-wavelength selenium dataset was collected at the Advanced LightSource (ALS, Berkeley, Calif.) beamline 8.2.2. For the GCYH-IB.Mn²⁺complex, crystals were back-soaked in metal-free reservoir solution for1 hr prior to cryo protection and a single-wavelength dataset wascollected from a single crystal at the Stanford Synchrotron RadiationLaboratory (SSRL, Stanford, Calif.) beamline 7-1. X-ray data wereprocessed in HKL2000. Otwinowski, Z. & Minor, W. 276 Methods Enzymol.,307-326 (1997).

Example 9 Structure Determination

The crystal structure of Ng-GCYH-IB was determined by themulti-wavelength anomalous dispersion (MAD) method using selenium as theanomalous scatterer. An initial heavy-atom substructure consisting of 15selenium sites was identified using the Phenix-hyss program. Adams etal., 11 J. Synchrotron Rad. 53-55 (2004). Heavy atom positions,occupancies, and atomic displacement parameters were then refined in theSHARP maximum likelihood program (Maximum-likelihood heavy atomparameter refinement in the MIR and MAD methods, in METHODS INENZYMOLOGY (de La Fortelle & Bricogne, eds., Acad. Press, San Diego,Calif., 1997)), and initial phases were calculated using all Se sites.Phases were improved by density modification with DM (Cowtan, 31 JointCCP4 & ESF-EACBM Newslett. Protein Crystallography, 34-38 (1994)), andSOLOMON (Abrahams & Leslie, 52 Acta Crystallographica 30-42 (1996)), ofthe CCP4 suite (Collaborative Computational Proj., N.4, D50 ActaCrystallographica 760-63 (1994)), using data in the resolution range 50Å to 2.2 Å and solvent content of 47%.

With solvent flattening, the mean figure of merit increased from 0.34 to0.85. The 2.2 Å FoFOM map was calculated and auto-traced in ARP/wARP(Perrakis et al., 6 Nature Structural Bio. 458-63 (1999)), where 418 ofthe 514 residues in the asymmetric unit were built. The model wasmanually completed and partially rebuilt in COOT (Emsley & Cowtan, D60Acta Crystallographica 2126-32 (2004)), utilizing the two-foldnon-crystallographic symmetry (NCS) relation. Subsequentcrystallographic refinement was carried out with Phenix-refine (Adams etal. 11 J. Synchr. Radiat., 53-55 (2004)), using NCS restraints and TwinLattice Symmetry parameterization that included 3 domains per monomer.(Isotropic B-group constraints were applied to disordered parts of themodel). Finally, the f′ and f″ were refined in Phenix to final values of−6.4 and 5.6, −5.4 and 4.9, and -5.6 and 3.5, for the peak, inflection,and remote wavelength, respectively. Solvent molecules and ions wereadded, the structure was further refined in Crystallography and NMRSystems (CNS, Adams et al., 8(5) Curr. Opin. Struct. Biol. 606-11(1998)), after removal of NCS restraints, and was validated usingProcheck software. Vaguine et al., 55 Acta Crystallographica D, 191-205(1999). The electron density for residues 146-160 and 188-210 of monomerA was weak with refined b-factors >60 Å², indicating that this region isdisordered.

The crystal structure of the GCYH-IB.Mn²⁺ complex was determined bydirect difference Fourier calculation in which a protein model based onthe crystal structure of the Zn²⁺-metallated enzyme was used tocalculate phases. The structure was rigid-body refined in CNS, thenrefined in the program refmac from CCP4 (Michalopoulos, et al. 32 Nucl.Acids Res., 251-254 (2004)) while applying NCS restraints and solventflattening. NCS restraints were removed in a second refmac run. Ligandsand solvent molecules were modeled in Coot (Emsley, P. & Cowtan, K. 60Acta Crystallogr. Biol. Crystallogr. D, 2126-2132 (2004)) and finalrefinement in refmac.

TABLE 7 GCYH-IB X-ray data collection and phasing statistics Datacollection Dataset Se_(peak) Se_(inflection) Se_(remote) Unit cell (Å)91.7, 100.3, 91.7, 100.2, 91.8, 100.4, 114.1 114.0 114.1 Wavelength0.9793 0.9795 0.9747 (Å) Resolution (Å) 50.0-2.20 50.0-2.20 50.0-2.20Unique  26,689 (26,567)¹ 26,724 (26,675) 26,490 (25,691) reflections(ano) Completeness 99.8 (99.0)  99.8 (100.0) 99.0 (92.0) (%) Redundancy5.7 (5.0) 5.8 (5.7) 5.4 (3.5) Rmerge (%)² 8.7 (61)   7.5 (36.9)   84(89.1) <I/σ(I)> 16.3 17.6 15.0 X-ray data collection, phasing, andstructure refinement statistics (con't) Phasing statistics (29-2.30 Å)R_(der) ³ 0.074⁴ 0.137 R_(anom) ⁵ 0.069 0.059 0.058 R_(cullis) ⁶0.49/0.73 0.83/0.72 0.84/0.86 (iso⁴/ano) Phasing power⁷ Centric 0.060.11 0.16 Acentric iso⁴ 0.06 0.09 0.15 Acentric ano 1.20 1.46 1.10 FOM⁸,overall 0.34 after DM 0.83 after Solomon 0.85 Number of Se 15 sites¹Highest-resolution shell (2.2-2.28 Å) information in parentheses.²R_(merge) = 100 × (Σ_(h) Σ_(i)|<I(h)> − I(h)_(i)|)/Σ_(h) Σ_(i)I(h)_(i), where I(h)_(i) is the i^(th) observation of reflection h and<I(h)> is the mean intensity of all observations of reflection h.³R_(der) = Σ_(h)|F_(PH) − F_(P)|/Σ_(h)|F_(P)|, where |F_(P)| and|F_(PH)| are the observed structure factor amplitudes of the native andthe derivative, respectively. ⁴The dispersive differences were treatedas isomorphous replacement information where the data collected atwavelength 0.9747 Å are treated as native data (Terwilliger 1994).⁵R_(anom) = Σ_(h)|F_(PH+) − F_(PH−)|/Σ_(h)|<F_(PH)>|, where |F_(PH+)|and |F_(PH−)| are the Friedel-pair observed structure factor amplitudesof the derivative at a given wavelength, and <F_(PH)> is their average.⁶R_(Cullis) = Σ_(h) [|F_(H)| − (|F_(PH)| − |F_(P)|)]/Σ_(h) (|F_(PH)| −|F_(P)|), where |F_(H)| is the calculated heavy-atom structure factorfor reflection h. ⁷PP_(disp) = (1/N_(refl)) Σ_(h) [||F_(PH)| −|F_(P)||/∫₀ ^(2π) (|F_(PH) − F_(PH) ^(calc)|) P(φ) d(φ)], where P(φ) isthe probability of a phase value of φ for reflection h. PP_(ano) =(1/N_(refl)) Σ_(h) [|Δ_(obs) ^(ANO)|/ ∫₀ ^(2π) (|Δ_(obs) ^(ANO) −Δ_(calc) ^(ANO)|) P(φ) d(φ), where Δ_(obs) ^(ANO) and Δ_(calc) ^(ANO)are the Friedel-pair differences in the observed and calculatedstructure-factor amplitudes, respectively, for reflection h. ⁸FOM:figure of merit.

TABLE 8 GCYH-IB•Mn²⁺ X-ray data collection GCYH-IB•Mn²⁺ Spacegroup C222₁Dataset Unit cell (Å) 92.2, 100.4, 113.9 Wavelength (Å) 0.97607Resolution (Å) 30.33-2.04 Unique reflections (ano) 33,675 (3,314)¹Completeness (%) 99.8 (99.9) Redundancy 4.5 (4.5) Rmerge (%) 7.1 (42.8)<I/σ(I)> 11.0 ¹Highest-resolution shell (2.04-2.11 Å) information inparentheses.

TABLE 9 Structure refinement of GCYH-IB and GCYH-IB•Mn²⁺ Structurerefinement GCYH-IB GCYH-IB•Mn²⁺ Resolution range 45.9-2.2 Å⁹ 30.33-2.04Number of reflections working/free 42,833¹⁰/4,631  31,937/1,710 Numberof atoms protein/water 3,829/133  3,829/261  active site metal ions 2 2other ions 1 2 other ligands 4 3 R-cryst¹¹/R-free¹² (%)  0.20/0.25 0.19/0.26 Rmsd bond lengths (Å) 0.007 0.019 Rmsd bond angles (Å) 0.8251.754 Ramachandran Plot (%) favored 93.2 96.9 allowed 6.8 3.1 WilsonB-factor (Å²) 40.3 37.4 ⁹During density modification, structure factorswere calculated for remote-wavelength data in the resolution range2.3-2.2 Å. ¹⁰Anomalous pairs treated as separate reflections.¹¹Crystallographic R-factor = 100 × (Σh||Fobs(h)| −|Fcalc(h)||)/Σh|Fobs(h)|, where Fobs(h) and Fcalc(h) are the observedstructure factor amplitude and the structurefactor amplitude calculatedfrom the model, respectively. ¹²The free R-factor was calculated byusing 90% and 95% of the data for GCYH-IB and GCYH-IB•Mn²⁺,respectively.

TABLE 10 Coordinates of GCYH-IB ATOM 1 N ARG 14 50.990 37.265 26.0731.00 56.18 ATOM 2 CA ARG 14 50.011 36.185 25.960 1.00 93.83 ATOM 3 C ARG14 49.059 36.319 24.779 1.00 0.95 ATOM 4 O ARG 14 48.591 37.409 24.4321.00 0.99 ATOM 5 CB ARG 14 49.303 35.895 27.281 1.00 91.72 ATOM 6 CG ARG14 49.942 34.713 27.967 1.00 98.01 ATOM 7 CD ARG 14 51.285 34.426 27.3041.00 0.59 ATOM 8 NE ARG 14 51.414 33.039 26.865 1.00 0.30 ATOM 9 CZ ARG14 52.447 32.573 26.171 1.00 0.57 ATOM 10 NH1 ARG 14 53.439 33.39025.833 1.00 0.47 ATOM 11 NH2 ARG 14 52.489 31.293 25.814 1.00 0.76 ATOM12 N ASN 15 48.763 35.156 24.216 1.00 0.82 ATOM 13 CA ASN 15 48.73134.960 22.775 1.00 0.69 ATOM 14 C ASN 15 47.386 34.873 22.064 1.00 0.82ATOM 15 O ASN 15 47.347 34.785 20.840 1.00 0.58 ATOM 16 CB ASN 15 49.54233.711 22.446 1.00 0.43 ATOM 17 CG ASN 15 50.905 34.038 21.890 1.00 0.83ATOM 18 OD1 ASN 15 51.045 34.928 21.057 1.00 0.77 ATOM 19 ND2 ASN 1551.914 33.309 22.326 1.00 0.18 ATOM 20 N LEU 16 46.303 34.863 22.8291.00 93.09 ATOM 21 CA LEU 16 44.939 34.936 22.298 1.00 61.91 ATOM 22 CLEU 16 44.622 34.166 21.008 1.00 56.02 ATOM 23 O LEU 16 45.138 34.46919.932 1.00 38.84 ATOM 24 CB LEU 16 44.489 36.387 22.186 1.00 59.10 ATOM25 CG LEU 16 43.830 36.989 23.430 1.00 70.01 ATOM 26 CD1 LEU 16 44.73836.859 24.627 1.00 95.51 ATOM 27 CD2 LEU 16 43.495 38.446 23.180 1.0064.01 ATOM 28 N PRO 17 43.757 33.151 21.121 1.00 46.50 ATOM 29 CA PRO 1743.251 32.480 19.919 1.00 51.15 ATOM 30 C PRO 17 42.355 33.456 19.1591.00 50.11 ATOM 31 O PRO 17 41.764 34.343 19.781 1.00 53.59 ATOM 32 CBPRO 17 42.371 31.359 20.477 1.00 48.36 ATOM 33 CG PRO 17 42.657 31.28821.920 1.00 47.75 ATOM 34 CD PRO 17 43.193 32.595 22.362 1.00 35.50 ATOM35 N ILE 18 42.269 33.309 17.840 1.00 37.05 ATOM 36 CA ILE 18 41.32934.091 17.045 1.00 44.06 ATOM 37 C ILE 18 40.165 33.183 16.623 1.0037.56 ATOM 38 O ILE 18 40.365 32.151 15.989 1.00 33.36 ATOM 39 CB ILE 1842.022 34.736 15.835 1.00 40.66 ATOM 40 CG1 ILE 18 43.083 35.747 16.3101.00 47.12 ATOM 41 CG2 ILE 18 41.009 35.427 14.932 1.00 45.97 ATOM 42CD1 ILE 18 44.084 36.146 15.235 1.00 36.80 ATOM 43 N LEU 51 42.10230.092 14.708 1.00 39.41 ATOM 44 CA LEU 51 43.542 30.191 14.783 1.0040.03 ATOM 45 C LEU 51 43.945 30.049 16.241 1.00 49.59 ATOM 46 O LEU 5143.620 30.892 17.048 1.00 35.47 ATOM 47 CB LEU 51 44.031 31.523 14.2271.00 43.30 ATOM 48 CG LEU 51 45.544 31.592 14.050 1.00 47.56 ATOM 49 CD1LEU 51 45.938 30.629 12.934 1.00 46.53 ATOM 50 CD2 LEU 51 46.047 33.01713.741 1.00 36.00 ATOM 51 N PRO 52 44.626 28.949 16.581 1.00 47.01 ATOM52 CA PRO 52 45.190 28.656 17.906 1.00 54.47 ATOM 53 C PRO 52 46.06429.798 18.441 1.00 47.94 ATOM 54 O PRO 52 46.671 30.515 17.665 1.0042.41 ATOM 55 CB PRO 52 46.074 27.435 17.643 1.00 45.04 ATOM 56 CG PRO52 45.583 26.838 16.384 1.00 58.50 ATOM 57 CD PRO 52 45.024 27.96015.569 1.00 44.63 ATOM 58 N ALA 53 46.140 29.938 19.754 1.00 48.98 ATOM59 CA ALA 53 46.895 31.025 20.372 1.00 58.53 ATOM 60 C ALA 53 48.29331.269 19.809 1.00 62.49 ATOM 61 O ALA 53 48.705 32.414 19.618 1.0065.81 ATOM 62 CB ALA 53 46.968 30.817 21.866 1.00 53.72 ATOM 63 N GLU 5449.045 30.206 19.556 1.00 72.43 ATOM 64 CA GLU 54 50.444 30.426 19.2081.00 0.41 ATOM 65 C GLU 54 50.782 30.220 17.740 1.00 90.42 ATOM 66 O GLU54 51.950 30.167 17.369 1.00 95.32 ATOM 67 CB GLU 54 51.388 29.64220.125 1.00 0.46 ATOM 68 CG GLU 54 51.661 28.215 19.713 1.00 0.78 ATOM69 CD GLU 54 52.565 27.509 20.707 1.00 0.22 ATOM 70 OE1 GLU 54 52.16527.386 21.885 1.00 0.86 ATOM 71 OE2 GLU 54 53.675 27.080 20.317 1.000.17 ATOM 72 N GLN 55 49.757 30.122 16.905 1.00 74.01 ATOM 73 CA GLN 5549.960 30.205 15.468 1.00 65.50 ATOM 74 C GLN 55 49.842 31.683 15.1001.00 60.70 ATOM 75 O GLN 55 48.917 32.349 15.541 1.00 63.86 ATOM 76 CBGLN 55 48.915 29.362 14.736 1.00 64.04 ATOM 77 CG GLN 55 49.232 29.07713.274 1.00 67.10 ATOM 78 CD GLN 55 48.245 28.102 12.656 1.00 78.01 ATOM79 OE1 GLN 55 47.694 27.243 13.344 1.00 86.83 ATOM 80 NE2 GLN 55 48.02028.230 11.349 1.00 66.25 ATOM 81 N LYS 56 50.785 32.197 14.316 1.0058.08 ATOM 82 CA LYS 56 50.833 33.629 14.040 1.00 68.32 ATOM 83 C LYS 5649.826 34.047 12.981 1.00 68.10 ATOM 84 O LYS 56 49.327 35.168 13.0071.00 70.15 ATOM 85 CB LYS 56 52.240 34.063 13.606 1.00 86.98 ATOM 86 CGLYS 56 52.324 35.528 13.177 1.00 0.17 ATOM 87 CD LYS 56 53.736 35.93412.796 1.00 0.61 ATOM 88 CE LYS 56 54.133 35.369 11.443 1.00 0.08 ATOM89 NZ LYS 56 55.504 35.801 11.051 1.00 0.69 ATOM 90 N GLY 57 49.55033.142 12.044 1.00 53.87 ATOM 91 CA GLY 57 48.726 33.462 10.893 1.0062.82 ATOM 92 C GLY 57 48.122 32.238 10.237 1.00 69.86 ATOM 93 O GLY 5748.528 31.114 10.513 1.00 61.08 ATOM 94 N THR 58 47.134 32.456 9.3761.00 69.78 ATOM 95 CA THR 58 46.546 31.375 8.602 1.00 71.47 ATOM 96 CTHR 58 47.141 31.433 7.205 1.00 55.97 ATOM 97 O THR 58 48.036 32.2446.951 1.00 59.93 ATOM 98 CB THR 58 44.996 31.491 8.551 1.00 71.04 ATOM99 OG1 THR 58 44.438 30.260 8.090 1.00 77.37 ATOM 100 CG2 THR 58 44.55332.634 7.635 1.00 65.11 ATOM 101 N HIS 59 46.646 30.597 6.297 1.00 58.22ATOM 102 CA HIS 59 47.133 30.614 4.921 1.00 64.81 ATOM 103 C HIS 5946.042 31.111 3.982 1.00 61.25 ATOM 104 O HIS 59 45.196 30.337 3.5531.00 68.43 ATOM 105 CB HIS 59 47.617 29.219 4.529 1.00 66.44 ATOM 106 CGHIS 59 48.517 28.597 5.553 1.00 72.69 ATOM 107 ND1 HIS 59 48.032 27.9066.639 1.00 76.25 ATOM 108 CD2 HIS 59 49.864 28.598 5.667 1.00 76.00 ATOM109 CE1 HIS 59 49.048 27.489 7.377 1.00 85.64 ATOM 110 NE2 HIS 59 50.16827.892 6.811 1.00 86.98 ATOM 111 N MSE 60 46.076 32.402 3.661 1.00 65.09ATOM 112 CA MSE 60 44.944 33.083 3.033 1.00 58.00 ATOM 113 C MSE 6044.570 32.565 1.654 1.00 50.50 ATOM 114 O MSE 60 43.381 32.500 1.3141.00 53.78 ATOM 115 CB MSE 60 45.194 34.591 2.971 1.00 62.77 ATOM 116 CGMSE 60 45.200 35.270 4.331 1.00 87.09 ATOM 117 SE MSE 60 43.419 35.3925.187 1.00 78.03 ATOM 118 CE MSE 60 43.904 36.431 6.770 1.00 92.20 ATOM119 N SER 61 45.581 32.191 0.870 1.00 45.42 ATOM 120 CA SER 61 45.37231.744 −0.512 1.00 47.54 ATOM 121 C SER 61 44.668 30.391 −0.647 1.0055.39 ATOM 122 O SER 61 44.049 30.106 −1.677 1.00 61.05 ATOM 123 CB SER61 46.682 31.749 −1.310 1.00 57.85 ATOM 124 OG SER 61 47.430 30.578−1.078 1.00 61.24 ATOM 125 N ARG 62 44.750 29.559 0.383 1.00 50.58 ATOM126 CA ARG 62 44.031 28.279 0.363 1.00 51.01 ATOM 127 C ARG 62 42.49828.410 0.275 1.00 41.04 ATOM 128 O ARG 62 41.844 27.611 −0.363 1.0044.23 ATOM 129 CB ARG 62 44.429 27.432 1.569 1.00 50.03 ATOM 130 CG ARG62 45.869 26.931 1.485 1.00 50.73 ATOM 131 CD ARG 62 46.291 26.230 2.7541.00 47.50 ATOM 132 NE ARG 62 47.747 26.097 2.827 1.00 72.17 ATOM 133 CZARG 62 48.391 25.436 3.779 1.00 68.28 ATOM 134 NH1 ARG 62 47.707 24.8374.742 1.00 59.95 ATOM 135 NH2 ARG 62 49.714 25.375 3.768 1.00 79.31 ATOM136 N PHE 63 41.940 29.427 0.917 1.00 41.97 ATOM 137 CA PHE 63 40.50329.668 0.879 1.00 44.58 ATOM 138 C PHE 63 40.028 29.808 −0.557 1.0049.40 ATOM 139 O PHE 63 39.061 29.168 −0.957 1.00 39.22 ATOM 140 CB PHE63 40.142 30.920 1.655 1.00 40.89 ATOM 141 CG PHE 63 40.396 30.816 3.1211.00 28.93 ATOM 142 CD1 PHE 63 39.581 30.031 3.914 1.00 38.88 ATOM 143CD2 PHE 63 41.431 31.517 3.706 1.00 35.68 ATOM 144 CE1 PHE 63 39.79029.946 5.262 1.00 36.00 ATOM 145 CE2 PHE 63 41.649 31.445 5.051 1.0044.36 ATOM 146 CZ PHE 63 40.829 30.669 5.838 1.00 30.89 ATOM 147 N ALA65 41.881 28.991 −3.386 1.00 31.61 ATOM 148 CA ALA 65 42.210 27.754−4.104 1.00 46.10 ATOM 149 C ALA 65 41.122 26.698 −3.901 1.00 50.34 ATOM150 O ALA 65 40.794 25.957 −4.815 1.00 45.89 ATOM 151 CB ALA 65 43.59727.186 −3.664 1.00 43.69 ATOM 152 N LEU 89 42.214 21.349 4.987 1.0056.45 ATOM 153 CA LEU 89 43.163 22.013 4.115 1.00 52.29 ATOM 154 C LEU89 43.946 23.137 4.829 1.00 59.53 ATOM 155 O LEU 89 45.146 23.299 4.6151.00 40.19 ATOM 156 CB LEU 89 42.421 22.578 2.905 1.00 53.20 ATOM 157 CGLEU 89 43.248 23.410 1.928 1.00 60.26 ATOM 158 CD1 LEU 89 44.138 22.4971.126 1.00 43.38 ATOM 159 CD2 LEU 89 42.353 24.204 1.011 1.00 58.43 ATOM160 N LEU 90 43.268 23.916 5.666 1.00 49.78 ATOM 161 CA LEU 90 43.93524.970 6.421 1.00 62.35 ATOM 162 C LEU 90 44.539 24.469 7.733 1.00 64.62ATOM 163 O LEU 90 45.059 25.243 8.539 1.00 60.89 ATOM 164 CB LEU 9042.973 26.124 6.657 1.00 47.33 ATOM 165 CG LEU 90 43.040 27.025 5.4311.00 59.03 ATOM 166 CD1 LEU 90 41.833 26.865 4.532 1.00 36.20 ATOM 167CD2 LEU 90 43.199 28.447 5.854 1.00 69.47 ATOM 168 N ASP 91 44.46623.159 7.928 1.00 62.53 ATOM 169 CA ASP 91 45.047 22.520 9.096 1.0074.18 ATOM 170 C ASP 91 44.501 23.155 10.370 1.00 64.49 ATOM 171 O ASP91 45.269 23.640 11.196 1.00 49.15 ATOM 172 CB ASP 91 46.574 22.6329.041 1.00 79.82 ATOM 173 CG ASP 91 47.201 21.658 8.051 1.00 0.54 ATOM174 OD1 ASP 91 46.457 20.880 7.417 1.00 0.33 ATOM 175 OD2 ASP 91 48.44521.657 7.918 1.00 0.26 ATOM 176 N SER 92 43.176 23.153 10.523 1.00 57.69ATOM 177 CA SER 92 42.553 23.776 11.687 1.00 45.90 ATOM 178 C SER 9241.470 22.934 12.389 1.00 51.56 ATOM 179 O SER 92 40.897 22.048 11.8051.00 45.21 ATOM 180 CB SER 92 41.987 25.143 11.299 1.00 50.32 ATOM 181OG SER 92 41.420 25.786 12.424 1.00 54.21 ATOM 182 N ARG 105 35.96563.521 15.017 1.00 33.07 ATOM 183 CA ARG 105 36.979 63.849 15.997 1.0029.88 ATOM 184 C ARG 105 38.125 64.607 15.317 1.00 32.84 ATOM 185 O ARG105 38.619 64.208 14.260 1.00 36.69 ATOM 186 CB ARG 105 37.493 62.59016.668 1.00 29.04 ATOM 187 CG ARG 105 38.351 62.846 17.863 1.00 48.37ATOM 188 CD ARG 105 39.092 61.594 18.287 1.00 47.10 ATOM 189 NE ARG 10539.543 61.665 19.671 1.00 44.80 ATOM 190 CZ ARG 105 40.409 60.822 20.2221.00 56.34 ATOM 191 NH1 ARG 105 40.945 59.847 19.494 1.00 36.07 ATOM 192NH2 ARG 105 40.747 60.953 21.503 1.00 43.89 ATOM 193 N LYS 106 38.49265.735 15.908 1.00 38.84 ATOM 194 CA LYS 106 39.620 66.529 15.447 1.0052.88 ATOM 195 C LYS 106 40.929 65.782 15.718 1.00 42.47 ATOM 196 O LYS106 41.179 65.301 16.828 1.00 53.64 ATOM 197 CB LYS 106 39.610 67.90116.128 1.00 46.81 ATOM 198 CG LYS 106 40.099 69.022 15.248 1.00 69.34ATOM 199 CD LYS 106 39.127 70.188 15.285 1.00 90.51 ATOM 200 CE LYS 10639.855 71.518 15.320 1.00 0.04 ATOM 201 NZ LYS 106 40.925 71.586 14.2921.00 0.37 ATOM 202 N LYS 107 41.732 65.658 14.670 1.00 34.97 ATOM 203 CALYS 107 43.065 65.060 14.759 1.00 52.25 ATOM 204 C LYS 107 44.181 66.03414.370 1.00 51.78 ATOM 205 O LYS 107 43.937 67.035 13.709 1.00 50.24ATOM 206 CB LYS 107 43.145 63.819 13.880 1.00 46.87 ATOM 207 CG LYS 10742.805 62.570 14.628 1.00 73.11 ATOM 208 CD LYS 107 41.862 61.713 13.8381.00 52.85 ATOM 209 CE LYS 107 42.594 60.754 12.936 1.00 74.85 ATOM 210NZ LYS 107 43.478 59.816 13.679 1.00 60.74 ATOM 211 N THR 108 45.40665.706 14.768 1.00 39.92 ATOM 212 CA THR 108 46.595 66.510 14.453 1.0051.78 ATOM 213 C THR 108 47.620 65.753 13.599 1.00 56.01 ATOM 214 O THR108 48.046 64.670 13.972 1.00 48.49 ATOM 215 CB THR 108 47.265 66.96215.743 1.00 58.98 ATOM 216 OG1 THR 108 46.367 67.820 16.453 1.00 76.08ATOM 217 CG2 THR 108 48.565 67.713 15.439 1.00 63.78 ATOM 218 N ALA 10948.009 66.319 12.457 1.00 51.19 ATOM 219 CA ALA 109 48.981 65.674 11.5771.00 47.51 ATOM 220 C ALA 109 50.292 65.456 12.332 1.00 56.59 ATOM 221 OALA 109 50.692 66.287 13.122 1.00 58.26 ATOM 222 CB ALA 109 49.19866.489 10.318 1.00 52.79 ATOM 223 N PRO 110 50.940 64.306 12.120 1.0060.88 ATOM 224 CA PRO 110 52.063 63.857 12.954 1.00 54.80 ATOM 225 C PRO110 53.369 64.686 12.855 1.00 73.41 ATOM 226 O PRO 110 54.163 64.64313.794 1.00 94.80 ATOM 227 CB PRO 110 52.284 62.420 12.469 1.00 59.86ATOM 228 CG PRO 110 51.694 62.406 11.099 1.00 62.30 ATOM 229 CD PRO 11050.486 63.240 11.220 1.00 65.45 ATOM 230 N VAL 111 53.586 65.414 11.7591.00 63.03 ATOM 231 CA VAL 111 54.752 66.292 11.640 1.00 67.64 ATOM 232C VAL 111 54.375 67.780 11.620 1.00 74.71 ATOM 233 O VAL 111 54.85068.549 12.447 1.00 70.73 ATOM 234 CB VAL 111 55.618 65.937 10.406 1.0071.63 ATOM 235 CG1 VAL 111 56.663 67.006 10.150 1.00 85.60 ATOM 236 CG2VAL 111 56.284 64.605 10.607 1.00 80.10 ATOM 237 N SER 112 53.508 68.17010.689 1.00 78.75 ATOM 238 CA SER 112 53.131 69.567 10.506 1.00 75.70ATOM 239 C SER 112 52.215 70.105 11.605 1.00 69.51 ATOM 240 O SER 11252.104 71.327 11.801 1.00 49.35 ATOM 241 CB SER 112 52.460 69.758 9.1461.00 52.06 ATOM 242 OG SER 112 51.115 69.326 9.190 1.00 56.21 ATOM 243 NGLY 113 51.551 69.189 12.304 1.00 52.71 ATOM 244 CA GLY 113 50.58469.545 13.330 1.00 53.69 ATOM 245 C GLY 113 49.263 70.121 12.828 1.0057.78 ATOM 246 O GLY 113 48.436 70.534 13.636 1.00 46.82 ATOM 247 N ILE114 49.067 70.165 11.509 1.00 48.95 ATOM 248 CA ILE 114 47.827 70.68910.954 1.00 62.98 ATOM 249 C ILE 114 46.650 69.813 11.372 1.00 62.30ATOM 250 O ILE 114 46.718 68.582 11.321 1.00 62.97 ATOM 251 CB ILE 11447.875 70.826 9.417 1.00 74.53 ATOM 252 CG1 ILE 114 49.070 71.677 8.9901.00 89.66 ATOM 253 CG2 ILE 114 46.597 71.473 8.904 1.00 60.35 ATOM 254CD1 ILE 114 49.088 71.999 7.508 1.00 0.82 ATOM 255 N ARG 115 45.58170.461 11.809 1.00 58.21 ATOM 256 CA ARG 115 44.416 69.765 12.333 1.0066.68 ATOM 257 C ARG 115 43.330 69.540 11.287 1.00 57.62 ATOM 258 O ARG115 43.135 70.350 10.377 1.00 46.10 ATOM 259 CB ARG 115 43.858 70.51413.536 1.00 68.26 ATOM 260 CG ARG 115 44.883 70.668 14.648 1.00 96.72ATOM 261 CD ARG 115 44.398 71.606 15.733 1.00 0.68 ATOM 262 NE ARG 11543.474 70.954 16.653 1.00 0.03 ATOM 263 CZ ARG 115 42.717 71.604 17.5301.00 0.61 ATOM 264 NH1 ARG 115 42.768 72.927 17.601 1.00 0.15 ATOM 265NH2 ARG 115 41.903 70.932 18.331 1.00 0.32 ATOM 266 N SER 116 42.64768.407 11.413 1.00 42.68 ATOM 267 CA SER 116 41.529 68.076 10.535 1.0043.53 ATOM 268 C SER 116 40.657 67.039 11.224 1.00 43.72 ATOM 269 O SER116 41.096 66.350 12.142 1.00 45.98 ATOM 270 CB SER 116 42.026 67.5629.184 1.00 62.92 ATOM 271 OG SER 116 42.807 66.390 9.331 1.00 72.92 ATOM272 N LEU 117 39.411 66.949 10.796 1.00 45.79 ATOM 273 CA LEU 117 38.46866.030 11.393 1.00 41.01 ATOM 274 C LEU 117 38.604 64.680 10.718 1.0030.98 ATOM 275 O LEU 117 38.923 64.602 9.534 1.00 36.37 ATOM 276 CB LEU117 37.051 66.528 11.164 1.00 27.67 ATOM 277 CG LEU 117 36.540 67.79711.834 1.00 46.81 ATOM 278 CD1 LEU 117 35.225 68.156 11.179 1.00 42.43ATOM 279 CD2 LEU 117 36.379 67.617 13.334 1.00 33.79 ATOM 280 N LEU 11838.363 63.616 11.471 1.00 36.49 ATOM 281 CA LEU 118 38.123 62.309 10.8691.00 34.89 ATOM 282 C LEU 118 36.754 61.798 11.335 1.00 43.06 ATOM 283 OLEU 118 36.329 62.065 12.465 1.00 27.18 ATOM 284 CB LEU 118 39.21661.307 11.257 1.00 37.46 ATOM 285 CG LEU 118 39.256 60.025 10.399 1.0051.69 ATOM 286 CD1 LEU 118 39.805 60.313 9.021 1.00 47.89 ATOM 287 CD2LEU 118 40.055 58.916 11.031 1.00 55.80 ATOM 288 N PRO 142 38.424 53.42010.783 1.00 23.25 ATOM 289 CA PRO 142 39.252 53.150 9.606 1.00 26.43ATOM 290 C PRO 142 40.728 53.367 9.970 1.00 33.52 ATOM 291 O PRO 14241.004 54.347 10.649 1.00 34.13 ATOM 292 CB PRO 142 38.856 54.257 8.6321.00 33.09 ATOM 293 CG PRO 142 37.937 55.197 9.398 1.00 36.83 ATOM 294CD PRO 142 37.951 54.809 10.830 1.00 33.30 ATOM 295 N VAL 143 41.62952.489 9.535 1.00 29.80 ATOM 296 CA VAL 143 43.062 52.644 9.755 1.0029.02 ATOM 297 C VAL 143 43.816 52.138 8.533 1.00 37.92 ATOM 298 O VAL143 43.207 51.728 7.551 1.00 42.12 ATOM 299 CB VAL 143 43.547 51.86710.977 1.00 45.56 ATOM 300 CG1 VAL 143 42.719 52.247 12.211 1.00 32.69ATOM 301 CG2 VAL 143 43.500 50.365 10.696 1.00 46.28 ATOM 302 N THR 14445.145 52.193 8.601 1.00 40.29 ATOM 303 CA THR 144 46.019 51.692 7.5431.00 58.11 ATOM 304 C THR 144 46.639 50.402 8.022 1.00 45.82 ATOM 305 OTHR 144 47.059 50.298 9.178 1.00 41.15 ATOM 306 CB THR 144 47.182 52.6667.239 1.00 76.98 ATOM 307 OG1 THR 144 46.679 53.997 7.072 1.00 84.02ATOM 308 CG2 THR 144 47.933 52.234 5.985 1.00 83.55 ATOM 309 N SER 14546.701 49.415 7.145 1.00 36.24 ATOM 310 CA SER 145 47.395 48.183 7.4731.00 52.43 ATOM 311 C SER 145 48.464 47.925 6.424 1.00 54.50 ATOM 312 OSER 145 48.248 48.158 5.250 1.00 43.53 ATOM 313 CB SER 145 46.416 47.0097.539 1.00 64.86 ATOM 314 OG SER 145 45.730 46.851 6.309 1.00 68.39 ATOM315 N LEU 146 49.621 47.452 6.852 1.00 56.00 ATOM 316 CA LEU 146 50.69147.139 5.919 1.00 62.10 ATOM 317 C LEU 146 51.116 45.682 6.109 1.0044.80 ATOM 318 O LEU 146 51.243 45.211 7.229 1.00 49.94 ATOM 319 CB LEU146 51.872 48.103 6.111 1.00 66.77 ATOM 320 CG LEU 146 53.014 47.9845.089 1.00 65.46 ATOM 321 CD1 LEU 146 53.480 49.346 4.611 1.00 57.34ATOM 322 CD2 LEU 146 54.166 47.156 5.653 1.00 61.66 ATOM 323 N CYS 14751.339 44.976 5.012 1.00 33.12 ATOM 324 CA CYS 147 51.537 43.531 5.0621.00 53.22 ATOM 325 C CYS 147 52.978 43.105 5.361 1.00 49.05 ATOM 326 OCYS 147 53.874 43.354 4.568 1.00 43.23 ATOM 327 CB CYS 147 51.095 42.8913.753 1.00 44.07 ATOM 328 SG CYS 147 51.253 41.076 3.766 1.00 43.71 ATOM329 N PRO 148 53.185 42.411 6.485 1.00 76.53 ATOM 330 CA PRO 148 54.52141.952 6.877 1.00 83.85 ATOM 331 C PRO 148 55.120 40.977 5.869 1.0074.03 ATOM 332 O PRO 148 56.284 41.115 5.550 1.00 61.76 ATOM 333 CB PRO148 54.274 41.256 8.215 1.00 84.26 ATOM 334 CG PRO 148 52.968 41.7838.690 1.00 73.26 ATOM 335 CD PRO 148 52.165 42.004 7.458 1.00 71.33 ATOM336 N CYS 149 54.340 40.025 5.369 1.00 75.80 ATOM 337 CA CYS 149 54.83339.072 4.379 1.00 74.27 ATOM 338 C CYS 149 55.272 39.756 3.091 1.0078.06 ATOM 339 O CYS 149 56.307 39.421 2.536 1.00 46.90 ATOM 340 CB CYS149 53.772 38.010 4.067 1.00 95.66 ATOM 341 SG CYS 149 54.170 36.9252.670 1.00 84.40 ATOM 342 N SER 150 54.470 40.706 2.625 1.00 80.75 ATOM343 CA SER 150 54.775 41.480 1.431 1.00 64.38 ATOM 344 C SER 150 56.10242.224 1.569 1.00 54.94 ATOM 345 O SER 150 56.914 42.224 0.646 1.0038.94 ATOM 346 CB SER 150 53.651 42.484 1.173 1.00 69.77 ATOM 347 OG SER150 53.899 43.263 0.023 1.00 33.31 ATOM 348 N LYS 151 56.300 42.8852.708 1.00 33.12 ATOM 349 CA LYS 151 57.547 43.593 2.989 1.00 68.45 ATOM350 C LYS 151 58.748 42.633 3.032 1.00 66.78 ATOM 351 O LYS 151 59.75142.833 2.357 1.00 57.85 ATOM 352 CB LYS 151 57.428 44.328 4.320 1.0071.24 ATOM 353 CG LYS 151 58.697 45.032 4.746 1.00 76.97 ATOM 354 CD LYS151 58.592 45.599 6.148 1.00 68.20 ATOM 355 CE LYS 151 59.889 46.2716.539 1.00 58.17 ATOM 356 NZ LYS 151 59.812 46.823 7.902 1.00 59.77 ATOM357 N GLU 152 58.613 41.585 3.829 1.00 78.41 ATOM 358 CA GLU 152 59.64040.561 4.021 1.00 92.52 ATOM 359 C GLU 152 60.153 39.905 2.735 1.0079.43 ATOM 360 O GLU 152 61.339 39.649 2.602 1.00 69.31 ATOM 361 CB GLU152 59.091 39.489 4.962 1.00 0.08 ATOM 362 CG GLU 152 60.011 38.3315.246 1.00 0.79 ATOM 363 CD GLU 152 59.323 37.258 6.072 1.00 0.24 ATOM364 OE1 GLU 152 58.216 36.827 5.688 1.00 0.23 ATOM 365 OE2 GLU 15259.884 36.848 7.108 1.00 0.86 ATOM 366 N ILE 153 59.262 39.634 1.7901.00 89.96 ATOM 367 CA ILE 153 59.642 38.882 0.597 1.00 92.18 ATOM 368 CILE 153 60.114 39.737 −0.576 1.00 88.22 ATOM 369 O ILE 153 60.802 39.239−1.457 1.00 82.43 ATOM 370 CB ILE 153 58.513 37.932 0.108 1.00 86.38ATOM 371 CG1 ILE 153 57.298 38.733 −0.386 1.00 77.79 ATOM 372 CG2 ILE153 58.133 36.944 1.202 1.00 83.92 ATOM 373 CD1 ILE 153 56.227 37.894−1.037 1.00 62.29 ATOM 374 N SER 154 59.745 41.013 −0.609 1.00 88.01ATOM 375 CA SER 154 60.133 41.853 −1.742 1.00 86.91 ATOM 376 C SER 15461.351 42.710 −1.418 1.00 67.99 ATOM 377 O SER 154 61.612 43.017 −0.2631.00 52.76 ATOM 378 CB SER 154 58.960 42.701 −2.253 1.00 78.98 ATOM 379OG SER 154 58.304 43.363 −1.197 1.00 77.89 ATOM 380 N GLN 155 62.10243.079 −2.448 1.00 68.23 ATOM 381 CA GLN 155 63.334 43.837 −2.252 1.0087.17 ATOM 382 C GLN 155 63.032 45.299 −1.942 1.00 86.25 ATOM 383 O GLN155 63.870 46.020 −1.408 1.00 67.23 ATOM 384 CB GLN 155 64.269 43.704−3.460 1.00 96.47 ATOM 385 CG GLN 155 63.654 44.106 −4.786 1.00 0.52ATOM 386 CD GLN 155 64.638 44.006 −5.936 1.00 0.43 ATOM 387 OE1 GLN 15565.818 44.328 −5.789 1.00 0.25 ATOM 388 NE2 GLN 155 64.156 43.559 −7.0901.00 0.08 ATOM 389 N TYR 156 61.822 45.723 −2.284 1.00 82.97 ATOM 390 CATYR 156 61.318 47.030 −1.884 1.00 80.96 ATOM 391 C TYR 156 59.800 47.062−1.963 1.00 80.92 ATOM 392 O TYR 156 59.193 46.208 −2.600 1.00 47.73ATOM 393 CB TYR 156 61.929 48.158 −2.723 1.00 65.47 ATOM 394 CG TYR 15662.164 47.832 −4.181 1.00 85.68 ATOM 395 CD1 TYR 156 61.111 47.526−5.027 1.00 77.03 ATOM 396 CD2 TYR 156 63.447 47.853 −4.715 1.00 90.55ATOM 397 CE1 TYR 156 61.328 47.238 −6.361 1.00 99.10 ATOM 398 CE2 TYR156 63.672 47.566 −6.044 1.00 96.22 ATOM 399 CZ TYR 156 62.611 47.260−6.862 1.00 0.08 ATOM 400 OH TYR 156 62.837 46.976 −8.186 1.00 90.79ATOM 401 N GLY 157 59.196 48.044 −1.304 1.00 72.73 ATOM 402 CA GLY 15757.754 48.188 −1.307 1.00 58.71 ATOM 403 C GLY 157 57.062 47.167 −0.4241.00 52.06 ATOM 404 O GLY 157 57.631 46.138 −0.078 1.00 47.90 ATOM 405 NALA 158 55.824 47.471 −0.046 1.00 33.39 ATOM 406 CA ALA 158 54.95346.536 0.669 1.00 56.02 ATOM 407 C ALA 158 53.518 46.951 0.406 1.0062.89 ATOM 408 O ALA 158 53.168 48.113 0.567 1.00 42.34 ATOM 409 CB ALA158 55.239 46.546 2.164 1.00 50.98 ATOM 410 N HIS 159 52.675 46.023−0.016 1.00 53.10 ATOM 411 CA HIS 159 51.307 46.421 −0.280 1.00 50.36ATOM 412 C HIS 159 50.642 46.805 1.043 1.00 46.60 ATOM 413 O HIS 15950.840 46.156 2.077 1.00 42.85 ATOM 414 CB HIS 159 50.528 45.359 −1.0611.00 69.62 ATOM 415 CG HIS 159 50.007 44.242 −0.218 1.00 64.17 ATOM 416ND1 HIS 159 48.869 44.363 0.549 1.00 65.54 ATOM 417 CD2 HIS 159 50.45642.985 −0.031 1.00 51.87 ATOM 418 CE1 HIS 159 48.648 43.223 1.182 1.0052.61 ATOM 419 NE2 HIS 159 49.595 42.373 0.846 1.00 61.55 ATOM 420 N ASN160 49.913 47.915 1.011 1.00 39.47 ATOM 421 CA ASN 160 49.141 48.3622.156 1.00 41.24 ATOM 422 C ASN 160 47.750 48.703 1.673 1.00 36.77 ATOM423 O ASN 160 47.495 48.705 0.481 1.00 37.08 ATOM 424 CB ASN 160 49.81949.545 2.865 1.00 40.95 ATOM 425 CG ASN 160 50.298 50.619 1.900 1.0068.88 ATOM 426 OD1 ASN 160 51.460 50.618 1.484 1.00 66.81 ATOM 427 ND2ASN 160 49.411 51.546 1.545 1.00 28.56 ATOM 428 N GLN 161 46.855 49.0122.591 1.00 26.40 ATOM 429 CA GLN 161 45.458 49.252 2.236 1.00 43.83 ATOM430 C GLN 161 44.713 49.794 3.417 1.00 49.46 ATOM 431 O GLN 161 45.19849.738 4.542 1.00 43.92 ATOM 432 CB GLN 161 44.775 47.962 1.777 1.0057.27 ATOM 433 CG GLN 161 44.857 46.852 2.784 1.00 60.87 ATOM 434 CD GLN161 46.158 46.068 2.695 1.00 52.87 ATOM 435 OE1 GLN 161 46.634 45.7381.601 1.00 41.97 ATOM 436 NE2 GLN 161 46.725 45.746 3.850 1.00 38.64ATOM 437 N ARG 162 43.522 50.312 3.158 1.00 52.54 ATOM 438 CA ARG 16242.648 50.738 4.232 1.00 46.71 ATOM 439 C ARG 162 42.082 49.501 4.9041.00 59.05 ATOM 440 O ARG 162 41.814 48.496 4.270 1.00 42.45 ATOM 441 CBARG 162 41.524 51.644 3.711 1.00 54.51 ATOM 442 CG ARG 162 41.034 52.6644.718 1.00 71.10 ATOM 443 CD ARG 162 39.975 53.579 4.129 1.00 86.06 ATOM444 NE ARG 162 40.524 54.548 3.190 1.00 68.39 ATOM 445 CZ ARG 162 39.80055.199 2.290 1.00 75.71 ATOM 446 NH1 ARG 162 38.499 54.973 2.206 1.0062.22 ATOM 447 NH2 ARG 162 40.375 56.065 1.471 1.00 70.75 ATOM 448 N SER163 41.938 49.587 6.211 1.00 37.48 ATOM 449 CA SER 163 41.365 48.5277.016 1.00 34.90 ATOM 450 C SER 163 40.248 49.125 7.885 1.00 42.81 ATOM451 O SER 163 40.317 50.265 8.350 1.00 29.13 ATOM 452 CB SER 163 42.46647.877 7.862 1.00 43.38 ATOM 453 OG SER 163 41.956 47.004 8.840 1.0073.12 ATOM 454 N HIS 164 39.167 48.383 8.050 1.00 25.58 ATOM 455 CA HIS164 38.147 48.793 9.003 1.00 27.06 ATOM 456 C HIS 164 38.230 47.89310.208 1.00 36.62 ATOM 457 O HIS 164 38.126 46.676 10.089 1.00 35.13ATOM 458 CB HIS 164 36.748 48.713 8.377 1.00 33.69 ATOM 459 CG HIS 16436.524 49.686 7.266 1.00 64.30 ATOM 460 ND1 HIS 164 35.667 49.443 6.2211.00 73.91 ATOM 461 CD2 HIS 164 37.058 50.917 7.034 1.00 61.84 ATOM 462CE1 HIS 164 35.671 50.475 5.393 1.00 72.47 ATOM 463 NE2 HIS 164 36.51251.379 5.866 1.00 59.98 ATOM 464 N GLU 178 35.857 58.012 22.387 1.0039.25 ATOM 465 CA GLU 178 37.222 58.396 22.054 1.00 38.39 ATOM 466 C GLU178 38.207 57.420 22.669 1.00 48.57 ATOM 467 O GLU 178 39.273 57.17222.104 1.00 46.83 ATOM 468 CB GLU 178 37.512 59.842 22.484 1.00 42.73ATOM 469 CG GLU 178 37.664 60.049 23.993 1.00 64.81 ATOM 470 CD GLU 17836.370 59.881 24.781 1.00 66.63 ATOM 471 OE1 GLU 178 35.270 60.02724.197 1.00 60.52 ATOM 472 OE2 GLU 178 36.461 59.611 25.997 1.00 61.01ATOM 473 N GLU 179 37.840 56.840 23.808 1.00 37.21 ATOM 474 CA GLU 17938.661 55.782 24.407 1.00 40.17 ATOM 475 C GLU 179 38.751 54.560 23.5171.00 36.90 ATOM 476 O GLU 179 39.825 53.985 23.374 1.00 51.37 ATOM 477CB GLU 179 38.129 55.350 25.773 1.00 43.49 ATOM 478 CG GLU 179 38.14156.416 26.843 1.00 57.74 ATOM 479 CD GLU 179 37.805 55.843 28.214 1.0074.66 ATOM 480 OE1 GLU 179 38.687 55.202 28.841 1.00 60.84 ATOM 481 OE2GLU 179 36.653 56.032 28.660 1.00 68.81 ATOM 482 N ILE 181 38.345 54.50720.306 1.00 27.44 ATOM 483 CA ILE 181 39.097 54.884 19.126 1.00 29.36ATOM 484 C ILE 181 40.614 54.834 19.407 1.00 50.07 ATOM 485 O ILE 18141.397 54.383 18.564 1.00 40.42 ATOM 486 CB ILE 181 38.699 56.265 18.6131.00 30.81 ATOM 487 CG1 ILE 181 37.266 56.212 18.047 1.00 37.62 ATOM 488CG2 ILE 181 39.754 56.774 17.599 1.00 29.95 ATOM 489 CD1 ILE 181 36.67757.558 17.652 1.00 39.81 ATOM 490 N ASP 182 41.004 55.282 20.598 1.0029.14 ATOM 491 CA ASP 182 42.401 55.313 21.019 1.00 37.82 ATOM 492 C ASP182 42.982 53.891 21.154 1.00 43.42 ATOM 493 O ASP 182 44.074 53.61020.662 1.00 47.73 ATOM 494 CB ASP 182 42.558 56.092 22.331 1.00 36.01ATOM 495 CG ASP 182 42.444 57.614 22.149 1.00 52.83 ATOM 496 OD1 ASP 18242.697 58.124 21.032 1.00 49.45 ATOM 497 OD2 ASP 182 42.108 58.30623.144 1.00 54.83 ATOM 498 N TYR 183 42.257 52.988 21.807 1.00 37.63ATOM 499 CA TYR 183 42.705 51.598 21.887 1.00 25.05 ATOM 500 C TYR 18343.036 51.059 20.493 1.00 47.61 ATOM 501 O TYR 183 43.943 50.254 20.3261.00 41.37 ATOM 502 CB TYR 183 41.645 50.700 22.527 1.00 33.40 ATOM 503CG TYR 183 41.497 50.812 24.026 1.00 47.28 ATOM 504 CD1 TYR 183 42.60050.998 24.836 1.00 56.26 ATOM 505 CD2 TYR 183 40.252 50.681 24.633 1.0038.98 ATOM 506 CE1 TYR 183 42.477 51.075 26.207 1.00 67.80 ATOM 507 CE2TYR 183 40.115 50.753 26.001 1.00 55.22 ATOM 508 CZ TYR 183 41.23350.955 26.789 1.00 67.84 ATOM 509 OH TYR 183 41.117 51.036 28.160 1.0069.73 ATOM 510 N VAL 184 42.294 51.485 19.480 1.00 32.30 ATOM 511 CA VAL184 42.513 50.910 18.168 1.00 34.08 ATOM 512 C VAL 184 43.614 51.61717.387 1.00 36.57 ATOM 513 O VAL 184 44.448 50.970 16.789 1.00 35.67ATOM 514 CB VAL 184 41.228 50.851 17.308 1.00 40.81 ATOM 515 CG1 VAL 18441.578 50.500 15.876 1.00 41.01 ATOM 516 CG2 VAL 184 40.222 49.82017.875 1.00 29.23 ATOM 517 N GLU 185 43.610 52.941 17.391 1.00 40.28ATOM 518 CA GLU 185 44.548 53.689 16.562 1.00 39.88 ATOM 519 C GLU 18545.993 53.527 17.037 1.00 49.88 ATOM 520 O GLU 185 46.913 53.496 16.2361.00 56.83 ATOM 521 CB GLU 185 44.119 55.154 16.470 1.00 28.85 ATOM 522CG GLU 185 42.883 55.365 15.585 1.00 48.56 ATOM 523 CD GLU 185 42.53856.833 15.405 1.00 52.66 ATOM 524 OE1 GLU 185 42.974 57.633 16.251 1.0043.17 ATOM 525 OE2 GLU 185 41.836 57.191 14.430 1.00 39.75 ATOM 526 NTHR 186 46.158 53.416 18.348 1.00 56.19 ATOM 527 CA THR 186 47.41953.065 18.988 1.00 60.74 ATOM 528 C THR 186 48.080 51.839 18.356 1.0054.76 ATOM 529 O THR 186 49.286 51.803 18.152 1.00 53.36 ATOM 530 CB THR186 47.188 52.794 20.494 1.00 59.55 ATOM 531 OG1 THR 186 47.159 54.03821.195 1.00 64.84 ATOM 532 CG2 THR 186 48.287 51.920 21.078 1.00 66.33ATOM 533 N GLN 187 47.274 50.843 18.028 1.00 54.99 ATOM 534 CA GLN 18747.774 49.561 17.551 1.00 53.27 ATOM 535 C GLN 187 47.868 49.431 16.0341.00 47.18 ATOM 536 O GLN 187 48.309 48.411 15.541 1.00 56.60 ATOM 537CB GLN 187 46.862 48.446 18.054 1.00 45.99 ATOM 538 CG GLN 187 46.65948.444 19.536 1.00 53.53 ATOM 539 CD GLN 187 47.920 48.065 20.252 1.0060.81 ATOM 540 OE1 GLN 187 48.807 47.435 19.670 1.00 55.31 ATOM 541 NE2GLN 187 48.015 48.432 21.520 1.00 47.26 ATOM 542 N ALA 188 47.427 50.42615.283 1.00 44.02 ATOM 543 CA ALA 188 47.445 50.290 13.834 1.00 52.84ATOM 544 C ALA 188 48.853 50.496 13.242 1.00 61.50 ATOM 545 O ALA 18849.666 51.203 13.820 1.00 45.67 ATOM 546 CB ALA 188 46.466 51.254 13.2191.00 42.42 ATOM 547 N SER 189 49.135 49.860 12.103 1.00 36.67 ATOM 548CA SER 189 50.352 50.130 11.336 1.00 49.39 ATOM 549 C SER 189 50.51151.630 11.189 1.00 62.48 ATOM 550 O SER 189 51.589 52.169 11.411 1.0051.33 ATOM 551 CB SER 189 50.289 49.483 9.953 1.00 35.57 ATOM 552 OG SER189 50.524 48.091 10.040 1.00 49.82 ATOM 553 N CYS 190 49.420 52.28510.796 1.00 43.06 ATOM 554 CA CYS 190 49.286 53.728 10.919 1.00 42.62ATOM 555 C CYS 190 47.816 54.169 10.820 1.00 49.00 ATOM 556 O CYS 19046.973 53.488 10.259 1.00 43.56 ATOM 557 CB CYS 190 50.158 54.486 9.9121.00 80.65 ATOM 558 SG CYS 190 50.699 56.108 10.542 1.00 74.68 ATOM 559N GLN 191 47.510 55.311 11.396 1.00 39.65 ATOM 560 CA GLN 191 46.14855.797 11.388 1.00 60.24 ATOM 561 C GLN 191 45.908 56.730 10.210 1.0052.12 ATOM 562 O GLN 191 46.837 57.102 9.515 1.00 49.03 ATOM 563 CB GLN191 45.831 56.475 12.715 1.00 61.86 ATOM 564 CG GLN 191 46.995 57.19813.327 1.00 60.94 ATOM 565 CD GLN 191 46.670 57.707 14.698 1.00 63.14ATOM 566 OE1 GLN 191 45.933 58.674 14.849 1.00 54.80 ATOM 567 NE2 GLN191 47.211 57.055 15.713 1.00 66.82 ATOM 568 N LEU 192 44.655 57.0869.984 1.00 50.72 ATOM 569 CA LEU 192 44.289 57.926 8.860 1.00 41.55 ATOM570 C LEU 192 44.159 59.371 9.315 1.00 50.00 ATOM 571 O LEU 192 43.87659.621 10.475 1.00 36.32 ATOM 572 CB LEU 192 42.966 57.446 8.255 1.0039.35 ATOM 573 CG LEU 192 42.940 56.019 7.727 1.00 46.42 ATOM 574 CD1LEU 192 41.593 55.684 7.117 1.00 41.02 ATOM 575 CD2 LEU 192 44.04455.836 6.701 1.00 49.16 ATOM 576 N TYR 193 44.386 60.307 8.394 1.0041.05 ATOM 577 CA TYR 193 44.156 61.731 8.618 1.00 41.75 ATOM 578 C TYR193 43.434 62.327 7.416 1.00 45.03 ATOM 579 O TYR 193 43.612 61.8606.290 1.00 56.48 ATOM 580 CB TYR 193 45.482 62.471 8.851 1.00 46.33 ATOM581 CG TYR 193 46.279 61.953 10.022 1.00 52.84 ATOM 582 CD1 TYR 19346.090 62.483 11.290 1.00 47.66 ATOM 583 CD2 TYR 193 47.222 60.925 9.8631.00 49.49 ATOM 584 CE1 TYR 193 46.804 62.018 12.366 1.00 57.04 ATOM 585CE2 TYR 193 47.944 60.452 10.941 1.00 51.34 ATOM 586 CZ TYR 193 47.73061.010 12.187 1.00 59.22 ATOM 587 OH TYR 193 48.427 60.569 13.273 1.0045.64 ATOM 588 N GLY 194 42.625 63.357 7.649 1.00 47.68 ATOM 589 CA GLY194 41.953 64.039 6.563 1.00 45.00 ATOM 590 C GLY 194 42.902 64.9415.783 1.00 55.57 ATOM 591 O GLY 194 42.802 65.059 4.562 1.00 73.94 ATOM592 N LEU 195 43.828 65.576 6.495 1.00 56.69 ATOM 593 CA LEU 195 44.74866.545 5.903 1.00 68.95 ATOM 594 C LEU 195 46.190 66.203 6.238 1.0068.24 ATOM 595 O LEU 195 46.552 66.162 7.408 1.00 53.14 ATOM 596 CB LEU195 44.431 67.941 6.431 1.00 55.82 ATOM 597 CG LEU 195 44.860 69.1445.603 1.00 63.65 ATOM 598 CD1 LEU 195 44.173 70.395 6.124 1.00 53.17ATOM 599 CD2 LEU 195 46.371 69.303 5.634 1.00 83.63 ATOM 600 N LEU 19647.000 65.960 5.208 1.00 49.64 ATOM 601 CA LEU 196 48.437 65.714 5.3701.00 47.59 ATOM 602 C LEU 196 49.267 66.548 4.411 1.00 55.36 ATOM 603 OLEU 196 48.957 66.624 3.222 1.00 59.50 ATOM 604 CB LEU 196 48.768 64.2465.111 1.00 47.54 ATOM 605 CG LEU 196 48.082 63.238 6.027 1.00 58.31 ATOM606 CD1 LEU 196 48.266 61.841 5.517 1.00 54.87 ATOM 607 CD2 LEU 19648.630 63.386 7.419 1.00 37.88 ATOM 608 N LYS 197 50.338 67.146 4.9231.00 48.39 ATOM 609 CA LYS 197 51.311 67.836 4.083 1.00 75.76 ATOM 610 CLYS 197 52.429 66.865 3.703 1.00 71.25 ATOM 611 O LYS 197 52.485 65.7494.228 1.00 49.06 ATOM 612 CB LYS 197 51.880 69.060 4.807 1.00 81.92 ATOM613 CG LYS 197 50.855 70.153 5.073 1.00 88.40 ATOM 614 CD LYS 197 49.78470.161 3.999 1.00 0.78 ATOM 615 CE LYS 197 49.135 71.520 3.846 1.00 0.41ATOM 616 NZ LYS 197 49.905 72.367 2.897 1.00 0.26 ATOM 617 N ARG 19853.307 67.287 2.795 1.00 61.35 ATOM 618 CA ARG 198 54.429 66.455 2.3401.00 78.19 ATOM 619 C ARG 198 55.195 65.744 3.462 1.00 75.65 ATOM 620 OARG 198 55.372 64.533 3.408 1.00 52.93 ATOM 621 CB ARG 198 55.403 67.2711.491 1.00 91.33 ATOM 622 CG ARG 198 55.218 67.126 −0.001 1.00 0.83 ATOM623 CD ARG 198 56.126 68.092 −0.738 1.00 0.91 ATOM 624 NE ARG 198 56.61067.533 −1.995 1.00 0.29 ATOM 625 CZ ARG 198 57.805 66.973 −2.152 1.000.90 ATOM 626 NH1 ARG 198 58.646 66.902 −1.128 1.00 0.09 ATOM 627 NH2ARG 198 58.162 66.488 −3.334 1.00 0.42 ATOM 628 N PRO 199 55.669 66.4944.471 1.00 70.03 ATOM 629 CA PRO 199 56.397 65.866 5.579 1.00 66.36 ATOM630 C PRO 199 55.541 64.867 6.351 1.00 71.38 ATOM 631 O PRO 199 56.10363.892 6.843 1.00 55.95 ATOM 632 CB PRO 199 56.757 67.059 6.482 1.0064.71 ATOM 633 CG PRO 199 55.798 68.123 6.082 1.00 73.47 ATOM 634 CD PRO199 55.666 67.957 4.609 1.00 77.02 ATOM 635 N ASP 200 54.227 65.1156.456 1.00 60.82 ATOM 636 CA ASP 200 53.290 64.211 7.142 1.00 63.99 ATOM637 C ASP 200 53.146 62.886 6.410 1.00 61.39 ATOM 638 O ASP 200 53.20861.814 7.003 1.00 53.71 ATOM 639 CB ASP 200 51.899 64.838 7.228 1.0050.68 ATOM 640 CG ASP 200 51.852 66.035 8.145 1.00 70.50 ATOM 641 OD1ASP 200 52.439 65.955 9.241 1.00 53.74 ATOM 642 OD2 ASP 200 51.21567.045 7.773 1.00 75.96 ATOM 643 N GLU 201 52.926 62.986 5.109 1.0044.34 ATOM 644 CA GLU 201 52.811 61.827 4.255 1.00 68.64 ATOM 645 C GLU201 54.094 61.003 4.267 1.00 64.75 ATOM 646 O GLU 201 54.046 59.7874.319 1.00 40.48 ATOM 647 CB GLU 201 52.469 62.247 2.830 1.00 44.67 ATOM648 CG GLU 201 52.608 61.122 1.836 1.00 71.92 ATOM 649 CD GLU 201 51.77761.334 0.595 1.00 76.03 ATOM 650 OE1 GLU 201 51.495 62.494 0.255 1.0087.45 ATOM 651 OE2 GLU 201 51.404 60.336 −0.043 1.00 64.60 ATOM 652 NLYS 202 55.243 61.661 4.206 1.00 50.01 ATOM 653 CA LYS 202 56.513 60.9574.314 1.00 53.02 ATOM 654 C LYS 202 56.564 60.157 5.628 1.00 42.78 ATOM655 O LYS 202 56.876 58.973 5.640 1.00 43.49 ATOM 656 CB LYS 202 57.68561.948 4.227 1.00 45.02 ATOM 657 CG LYS 202 59.008 61.344 4.615 1.0059.66 ATOM 658 CD LYS 202 60.147 62.359 4.555 1.00 54.22 ATOM 659 CE LYS202 61.395 61.732 5.112 1.00 46.69 ATOM 660 NZ LYS 202 62.492 62.7305.135 1.00 0.21 ATOM 661 N TYR 203 56.261 60.827 6.729 1.00 53.09 ATOM662 CA TYR 203 56.204 60.202 8.045 1.00 64.50 ATOM 663 C TYR 203 55.24559.002 8.106 1.00 61.81 ATOM 664 O TYR 203 55.568 57.969 8.685 1.0065.84 ATOM 665 CB TYR 203 55.783 61.245 9.075 1.00 67.81 ATOM 666 CG TYR203 55.679 60.723 10.477 1.00 64.72 ATOM 667 CD1 TYR 203 56.748 60.81911.345 1.00 52.12 ATOM 668 CD2 TYR 203 54.513 60.137 10.940 1.00 53.63ATOM 669 CE1 TYR 203 56.664 60.356 12.633 1.00 60.02 ATOM 670 CE2 TYR203 54.421 59.662 12.241 1.00 64.08 ATOM 671 CZ TYR 203 55.506 59.78113.079 1.00 69.98 ATOM 672 OH TYR 203 55.444 59.316 14.365 1.00 69.48ATOM 673 N VAL 204 54.068 59.141 7.506 1.00 60.20 ATOM 674 CA VAL 20453.038 58.088 7.576 1.00 78.24 ATOM 675 C VAL 204 53.422 56.850 6.7231.00 47.17 ATOM 676 O VAL 204 53.315 55.712 7.181 1.00 43.11 ATOM 677 CBVAL 204 51.612 58.669 7.250 1.00 43.63 ATOM 678 CG1 VAL 204 51.27758.534 5.775 1.00 47.36 ATOM 679 CG2 VAL 204 50.563 58.049 8.102 1.0071.25 ATOM 680 N THR 205 53.905 57.086 5.506 1.00 44.47 ATOM 681 CA THR205 54.461 56.047 4.633 1.00 52.60 ATOM 682 C THR 205 55.540 55.2085.338 1.00 57.12 ATOM 683 O THR 205 55.508 53.963 5.330 1.00 41.28 ATOM684 CB THR 205 55.107 56.681 3.363 1.00 61.74 ATOM 685 OG1 THR 20554.153 57.493 2.669 1.00 49.23 ATOM 686 CG2 THR 205 55.642 55.616 2.4181.00 57.92 ATOM 687 N GLU 206 56.501 55.905 5.939 1.00 51.43 ATOM 688 CAGLU 206 57.652 55.270 6.587 1.00 49.67 ATOM 689 C GLU 206 57.274 54.5077.859 1.00 42.78 ATOM 690 O GLU 206 57.708 53.380 8.056 1.00 46.60 ATOM691 CB GLU 206 58.753 56.312 6.872 1.00 32.43 ATOM 692 CG GLU 206 59.40656.840 5.608 1.00 67.25 ATOM 693 CD GLU 206 60.333 58.014 5.874 1.0094.44 ATOM 694 OE1 GLU 206 60.462 58.439 7.044 1.00 0.36 ATOM 695 OE2GLU 206 60.933 58.514 4.904 1.00 89.69 ATOM 696 N LYS 207 56.460 55.1298.703 1.00 46.45 ATOM 697 CA LYS 207 56.052 54.550 9.968 1.00 62.72 ATOM698 C LYS 207 55.270 53.262 9.746 1.00 63.15 ATOM 699 O LYS 207 55.44552.296 10.483 1.00 51.88 ATOM 700 CB LYS 207 55.237 55.571 10.776 1.0072.67 ATOM 701 CG LYS 207 54.342 54.977 11.858 1.00 0.74 ATOM 702 CD LYS207 55.121 54.624 13.113 1.00 0.57 ATOM 703 CE LYS 207 54.183 54.30714.272 1.00 0.12 ATOM 704 NZ LYS 207 54.926 54.061 15.540 1.00 0.37 ATOM705 N ALA 208 54.419 53.247 8.721 1.00 51.93 ATOM 706 CA ALA 208 53.65352.046 8.383 1.00 52.25 ATOM 707 C ALA 208 54.595 50.951 7.896 1.0057.98 ATOM 708 O ALA 208 54.459 49.779 8.252 1.00 36.09 ATOM 709 CB ALA208 52.598 52.353 7.319 1.00 38.82 ATOM 710 N TYR 209 55.565 51.3437.077 1.00 52.31 ATOM 711 CA TYR 209 56.567 50.407 6.594 1.00 56.68 ATOM712 C TYR 209 57.336 49.761 7.761 1.00 64.16 ATOM 713 O TYR 209 57.63448.581 7.726 1.00 52.26 ATOM 714 CB TYR 209 57.510 51.099 5.615 1.0051.72 ATOM 715 CG TYR 209 58.410 50.162 4.833 1.00 63.67 ATOM 716 CD1TYR 209 57.999 49.632 3.608 1.00 59.18 ATOM 717 CD2 TYR 209 59.66749.813 5.309 1.00 67.39 ATOM 718 CE1 TYR 209 58.809 48.792 2.885 1.0074.90 ATOM 719 CE2 TYR 209 60.490 48.966 4.586 1.00 55.98 ATOM 720 CZTYR 209 60.053 48.459 3.378 1.00 78.85 ATOM 721 OH TYR 209 60.859 47.6152.659 1.00 69.89 ATOM 722 N GLU 210 57.623 50.527 8.806 1.00 59.87 ATOM723 CA GLU 210 58.365 50.004 9.952 1.00 55.94 ATOM 724 C GLU 210 57.46149.241 10.920 1.00 69.29 ATOM 725 O GLU 210 57.948 48.571 11.819 1.0056.02 ATOM 726 CB GLU 210 59.066 51.136 10.702 1.00 55.80 ATOM 727 CGGLU 210 59.989 51.979 9.849 1.00 71.30 ATOM 728 CD GLU 210 60.235 53.36810.426 1.00 87.58 ATOM 729 OE1 GLU 210 59.759 53.668 11.546 1.00 73.11ATOM 730 OE2 GLU 210 60.903 54.171 9.748 1.00 93.13 ATOM 731 N ASN 21156.144 49.348 10.751 1.00 52.95 ATOM 732 CA ASN 211 55.228 48.666 11.6601.00 72.66 ATOM 733 C ASN 211 54.204 47.800 10.915 1.00 72.42 ATOM 734 OASN 211 53.002 48.024 11.008 1.00 55.20 ATOM 735 CB ASN 211 54.53749.677 12.586 1.00 82.34 ATOM 736 CG ASN 211 53.763 49.010 13.711 1.0096.40 ATOM 737 OD1 ASN 211 54.164 47.965 14.228 1.00 0.40 ATOM 738 ND2ASN 211 52.645 49.617 14.097 1.00 93.22 ATOM 739 N PRO 212 54.685 46.79710.171 1.00 55.52 ATOM 740 CA PRO 212 53.771 45.938 9.417 1.00 50.78ATOM 741 C PRO 212 52.908 45.098 10.357 1.00 62.47 ATOM 742 O PRO 21253.390 44.658 11.396 1.00 43.99 ATOM 743 CB PRO 212 54.717 45.020 8.6331.00 44.67 ATOM 744 CG PRO 212 56.099 45.617 8.786 1.00 53.75 ATOM 745CD PRO 212 56.078 46.322 10.087 1.00 52.24 ATOM 746 N LYS 213 51.64744.889 10.000 1.00 50.06 ATOM 747 CA LYS 213 50.733 44.089 10.821 1.0060.06 ATOM 748 C LYS 213 49.698 43.345 9.986 1.00 37.78 ATOM 749 O LYS213 48.985 43.940 9.184 1.00 49.66 ATOM 750 CB LYS 213 50.019 44.94711.877 1.00 59.67 ATOM 751 CG LYS 213 50.842 45.204 13.119 1.00 67.39ATOM 752 CD LYS 213 50.009 45.756 14.255 1.00 71.54 ATOM 753 CE LYS 21350.909 46.303 15.349 1.00 66.53 ATOM 754 NZ LYS 213 50.180 46.690 16.5861.00 54.59 ATOM 755 N PHE 214 49.644 42.037 10.189 1.00 44.37 ATOM 756CA PHE 214 48.577 41.197 9.666 1.00 57.67 ATOM 757 C PHE 214 47.25741.532 10.339 1.00 50.58 ATOM 758 O PHE 214 47.235 42.124 11.414 1.0052.80 ATOM 759 CB PHE 214 48.882 39.721 9.950 1.00 53.34 ATOM 760 CG PHE214 49.983 39.148 9.112 1.00 60.66 ATOM 761 CD1 PHE 214 49.924 39.1987.730 1.00 75.57 ATOM 762 CD2 PHE 214 51.063 38.528 9.708 1.00 74.87ATOM 763 CE1 PHE 214 50.932 38.660 6.959 1.00 68.54 ATOM 764 CE2 PHE 21452.075 37.984 8.943 1.00 73.49 ATOM 765 CZ PHE 214 52.009 38.051 7.5651.00 65.16 ATOM 766 N VAL 215 46.161 41.102 9.721 1.00 50.21 ATOM 767 CAVAL 215 44.838 41.218 10.332 1.00 32.24 ATOM 768 C VAL 215 44.760 40.42911.663 1.00 39.63 ATOM 769 O VAL 215 44.097 40.842 12.616 1.00 34.93ATOM 770 CB VAL 215 43.736 40.829 9.328 1.00 49.44 ATOM 771 CG1 VAL 21543.564 39.327 9.245 1.00 40.48 ATOM 772 CG2 VAL 215 42.442 41.477 9.6981.00 43.26 ATOM 773 N GLU 216 45.483 39.315 11.741 1.00 31.87 ATOM 774CA GLU 216 45.604 38.551 12.985 1.00 37.07 ATOM 775 C GLU 216 46.23639.343 14.124 1.00 42.58 ATOM 776 O GLU 216 45.774 39.286 15.267 1.0037.19 ATOM 777 CB GLU 216 46.392 37.253 12.760 1.00 37.27 ATOM 778 CGGLU 216 45.753 36.309 11.734 1.00 55.63 ATOM 779 CD GLU 216 46.29336.491 10.315 1.00 64.24 ATOM 780 OE1 GLU 216 46.794 37.581 9.987 1.0072.74 ATOM 781 OE2 GLU 216 46.212 35.541 9.514 1.00 72.11 ATOM 782 N ASP217 47.297 40.082 13.821 1.00 42.79 ATOM 783 CA ASP 217 47.967 40.88014.846 1.00 48.33 ATOM 784 C ASP 217 47.118 42.054 15.292 1.00 43.56ATOM 785 O ASP 217 47.070 42.373 16.475 1.00 45.97 ATOM 786 CB ASP 21749.316 41.364 14.338 1.00 53.19 ATOM 787 CG ASP 217 50.191 40.226 13.9021.00 69.65 ATOM 788 OD1 ASP 217 50.265 39.231 14.662 1.00 73.54 ATOM 789OD2 ASP 217 50.782 40.314 12.801 1.00 68.83 ATOM 790 N MSE 218 46.44342.682 14.336 1.00 37.35 ATOM 791 CA MSE 218 45.542 43.788 14.634 1.0039.78 ATOM 792 C MSE 218 44.546 43.395 15.734 1.00 24.72 ATOM 793 O MSE218 44.499 44.012 16.796 1.00 29.59 ATOM 794 CB MSE 218 44.810 44.24113.362 1.00 58.79 ATOM 795 CG MSE 218 44.073 45.573 13.480 1.00 77.38ATOM 796 SE MSE 218 45.130 46.991 14.337 1.00 0.47 ATOM 797 CE MSE 21844.023 48.546 13.914 1.00 0.92 ATOM 798 N VAL 219 43.774 42.337 15.4941.00 29.59 ATOM 799 CA VAL 219 42.719 41.980 16.429 1.00 26.43 ATOM 800C VAL 219 43.272 41.489 17.751 1.00 27.62 ATOM 801 O VAL 219 42.71741.787 18.809 1.00 32.99 ATOM 802 CB VAL 219 41.705 40.955 15.837 1.0036.95 ATOM 803 CG1 VAL 219 41.063 41.525 14.612 1.00 35.83 ATOM 804 CG2VAL 219 42.391 39.657 15.492 1.00 30.34 ATOM 805 N ARG 220 44.362 40.73417.691 1.00 30.45 ATOM 806 CA ARG 220 45.024 40.300 18.917 1.00 43.29ATOM 807 C ARG 220 45.473 41.480 19.757 1.00 39.78 ATOM 808 O ARG 22045.241 41.506 20.961 1.00 49.09 ATOM 809 CB ARG 220 46.204 39.392 18.6061.00 37.68 ATOM 810 CG ARG 220 45.787 37.957 18.434 1.00 41.30 ATOM 811CD ARG 220 46.922 37.107 17.877 1.00 37.85 ATOM 812 NE ARG 220 46.56235.704 18.004 1.00 44.94 ATOM 813 CZ ARG 220 47.039 34.723 17.253 1.0047.83 ATOM 814 NH1 ARG 220 47.911 34.976 16.293 1.00 39.44 ATOM 815 NH2ARG 220 46.630 33.483 17.468 1.00 46.76 ATOM 816 N ASP 221 46.091 42.46619.116 1.00 30.84 ATOM 817 CA ASP 221 46.593 43.628 19.863 1.00 39.37ATOM 818 C ASP 221 45.487 44.506 20.456 1.00 39.67 ATOM 819 O ASP 22145.582 44.958 21.584 1.00 44.32 ATOM 820 CB ASP 221 47.527 44.451 18.9901.00 50.33 ATOM 821 CG ASP 221 48.803 43.695 18.628 1.00 76.67 ATOM 822OD1 ASP 221 49.064 42.623 19.227 1.00 84.23 ATOM 823 OD2 ASP 221 49.54944.170 17.741 1.00 61.34 ATOM 824 N VAL 222 44.411 44.721 19.707 1.0035.67 ATOM 825 CA VAL 222 43.286 45.490 20.242 1.00 37.76 ATOM 826 C VAL222 42.568 44.737 21.366 1.00 32.07 ATOM 827 O VAL 222 42.181 45.33222.366 1.00 38.73 ATOM 828 CB VAL 222 42.265 45.817 19.163 1.00 30.54ATOM 829 CG1 VAL 222 41.055 46.485 19.798 1.00 34.98 ATOM 830 CG2 VAL222 42.880 46.682 18.116 1.00 31.33 ATOM 831 N ALA 223 42.408 43.42421.189 1.00 27.50 ATOM 832 CA ALA 223 41.684 42.595 22.152 1.00 38.49ATOM 833 C ALA 223 42.393 42.585 23.496 1.00 41.28 ATOM 834 O ALA 22341.755 42.586 24.540 1.00 35.49 ATOM 835 CB ALA 223 41.531 41.189 21.6341.00 32.48 ATOM 836 N THR 224 43.722 42.571 23.457 1.00 38.65 ATOM 837CA THR 224 44.515 42.572 24.679 1.00 41.10 ATOM 838 C THR 224 44.25143.847 25.487 1.00 40.22 ATOM 839 O THR 224 44.079 43.801 26.702 1.0044.23 ATOM 840 CB THR 224 45.997 42.444 24.361 1.00 34.72 ATOM 841 OG1THR 224 46.230 41.196 23.701 1.00 47.19 ATOM 842 CG2 THR 224 46.80942.504 25.634 1.00 51.18 ATOM 843 N SER 225 44.206 44.985 24.803 1.0035.60 ATOM 844 CA SER 225 43.861 46.250 25.456 1.00 47.00 ATOM 845 C SER225 42.478 46.229 26.070 1.00 45.84 ATOM 846 O SER 225 42.288 46.75527.161 1.00 42.17 ATOM 847 CB SER 225 43.921 47.413 24.479 1.00 42.92ATOM 848 OG SER 225 45.122 47.392 23.754 1.00 48.51 ATOM 849 N LEU 22641.518 45.629 25.370 1.00 37.09 ATOM 850 CA LEU 226 40.133 45.605 25.8531.00 36.24 ATOM 851 C LEU 226 40.008 44.659 27.036 1.00 37.89 ATOM 852 OLEU 226 39.325 44.973 28.006 1.00 43.78 ATOM 853 CB LEU 226 39.16545.210 24.729 1.00 34.97 ATOM 854 CG LEU 226 39.134 46.090 23.479 1.0033.84 ATOM 855 CD1 LEU 226 38.220 45.489 22.430 1.00 50.41 ATOM 856 CD2LEU 226 38.715 47.542 23.789 1.00 39.51 ATOM 857 N ILE 227 40.697 43.51726.953 1.00 36.57 ATOM 858 CA ILE 227 40.717 42.519 28.015 1.00 45.24ATOM 859 C ILE 227 41.250 43.119 29.305 1.00 47.23 ATOM 860 O ILE 22740.767 42.806 30.391 1.00 49.27 ATOM 861 CB ILE 227 41.584 41.309 27.6441.00 47.34 ATOM 862 CG1 ILE 227 40.827 40.398 26.683 1.00 43.33 ATOM 863CG2 ILE 227 42.004 40.532 28.913 1.00 38.95 ATOM 864 CD1 ILE 227 41.69039.392 26.055 1.00 47.18 ATOM 865 N ALA 228 42.242 43.995 29.169 1.0033.22 ATOM 866 CA ALA 228 42.793 44.696 30.316 1.00 51.83 ATOM 867 C ALA228 41.791 45.649 30.994 1.00 62.10 ATOM 868 O ALA 228 41.712 45.70632.215 1.00 60.35 ATOM 869 CB ALA 228 44.061 45.427 29.931 1.00 49.81ATOM 870 N ASP 229 41.017 46.383 30.207 1.00 48.90 ATOM 871 CA ASP 22940.031 47.312 30.765 1.00 44.21 ATOM 872 C ASP 229 38.912 46.607 31.5701.00 52.96 ATOM 873 O ASP 229 38.167 45.795 31.024 1.00 56.32 ATOM 874CB ASP 229 39.422 48.142 29.638 1.00 63.61 ATOM 875 CG ASP 229 38.77749.411 30.137 1.00 71.21 ATOM 876 OD1 ASP 229 37.992 49.364 31.117 1.0054.93 ATOM 877 OD2 ASP 229 39.065 50.462 29.541 1.00 59.40 ATOM 878 NLYS 230 38.797 46.931 32.858 1.00 59.01 ATOM 879 CA LYS 230 37.89846.203 33.757 1.00 60.43 ATOM 880 C LYS 230 36.423 46.579 33.583 1.0051.76 ATOM 881 O LYS 230 35.540 45.878 34.083 1.00 60.37 ATOM 882 CB LYS230 38.306 46.402 35.220 1.00 66.12 ATOM 883 CG LYS 230 39.779 46.12835.521 1.00 90.89 ATOM 884 CD LYS 230 40.171 44.685 35.229 1.00 94.28ATOM 885 CE LYS 230 41.592 44.381 35.704 1.00 89.21 ATOM 886 NZ LYS 23042.710 44.902 34.842 1.00 72.91 ATOM 887 N ASN 241 40.511 43.782 6.1571.00 35.37 ATOM 888 CA ASN 241 41.557 44.396 5.336 1.00 35.84 ATOM 889 CASN 241 41.181 44.360 3.868 1.00 44.30 ATOM 890 O ASN 241 41.131 43.2853.277 1.00 35.87 ATOM 891 CB ASN 241 42.846 43.596 5.458 1.00 59.50 ATOM892 CG ASN 241 43.834 44.211 6.385 1.00 74.07 ATOM 893 OD1 ASN 24145.033 44.132 6.144 1.00 83.92 ATOM 894 ND2 ASN 241 43.353 44.817 7.4611.00 73.43 ATOM 895 N PHE 242 40.947 45.512 3.261 1.00 34.18 ATOM 896 CAPHE 242 40.648 45.561 1.835 1.00 54.06 ATOM 897 C PHE 242 41.932 45.4861.029 1.00 43.36 ATOM 898 O PHE 242 42.298 46.430 0.319 1.00 42.57 ATOM899 CB PHE 242 39.837 46.812 1.491 1.00 49.71 ATOM 900 CG PHE 242 38.57946.943 2.307 1.00 54.48 ATOM 901 CD1 PHE 242 37.400 46.327 1.899 1.0048.92 ATOM 902 CD2 PHE 242 38.587 47.658 3.500 1.00 50.08 ATOM 903 CE1PHE 242 36.249 46.426 2.662 1.00 44.33 ATOM 904 CE2 PHE 242 37.44647.768 4.265 1.00 56.26 ATOM 905 CZ PHE 242 36.269 47.147 3.847 1.0048.67 ATOM 906 N GLU 243 42.603 44.341 1.149 1.00 43.70 ATOM 907 CA GLU243 43.938 44.146 0.598 1.00 53.80 ATOM 908 C GLU 243 44.041 44.634−0.836 1.00 54.72 ATOM 909 O GLU 243 43.155 44.399 −1.662 1.00 36.12ATOM 910 CB GLU 243 44.409 42.691 0.753 1.00 62.42 ATOM 911 CG GLU 24343.409 41.659 0.338 1.00 98.18 ATOM 912 CD GLU 243 43.956 40.259 0.4861.00 0.38 ATOM 913 OE1 GLU 243 43.160 39.296 0.471 1.00 0.85 ATOM 914OE2 GLU 243 45.189 40.123 0.625 1.00 0.45 ATOM 915 N SER 244 45.12645.345 −1.110 1.00 48.15 ATOM 916 CA SER 244 45.254 46.091 −2.349 1.0048.27 ATOM 917 C SER 244 45.764 45.216 −3.487 1.00 43.29 ATOM 918 O SER244 45.999 45.711 −4.582 1.00 54.30 ATOM 919 CB SER 244 46.178 47.290−2.154 1.00 50.70 ATOM 920 OG SER 244 47.495 46.834 −1.924 1.00 57.31ATOM 921 N ILE 245 45.938 43.921 −3.225 1.00 38.50 ATOM 922 CA ILE 24546.367 42.985 −4.273 1.00 54.46 ATOM 923 C ILE 245 45.290 41.961 −4.6541.00 49.60 ATOM 924 O ILE 245 45.474 41.190 −5.595 1.00 39.53 ATOM 925CB ILE 245 47.658 42.234 −3.879 1.00 54.37 ATOM 926 CG1 ILE 245 47.40141.334 −2.669 1.00 54.44 ATOM 927 CG2 ILE 245 48.758 43.216 −3.577 1.0037.95 ATOM 928 CD1 ILE 245 48.629 40.583 −2.192 1.00 73.40 ATOM 929 NHIS 246 44.188 41.940 −3.908 1.00 43.91 ATOM 930 CA HIS 246 43.05841.050 −4.206 1.00 49.94 ATOM 931 C HIS 246 41.770 41.862 −4.355 1.0057.65 ATOM 932 O HIS 246 41.754 43.043 −4.058 1.00 47.46 ATOM 933 CB HIS246 42.893 40.005 −3.104 1.00 40.63 ATOM 934 CG HIS 246 44.038 39.038−3.001 1.00 63.27 ATOM 935 ND1 HIS 246 44.749 38.845 −1.831 1.00 58.15ATOM 936 CD2 HIS 246 44.585 38.202 −3.912 1.00 61.44 ATOM 937 CE1 HIS246 45.683 37.933 −2.032 1.00 69.99 ATOM 938 NE2 HIS 246 45.609 37.532−3.288 1.00 70.61 ATOM 939 N ASN 247 40.699 41.241 −4.831 1.00 45.02ATOM 940 CA ASN 247 39.407 41.904 −4.820 1.00 41.42 ATOM 941 C ASN 24738.445 41.358 −3.747 1.00 46.46 ATOM 942 O ASN 247 37.230 41.355 −3.9301.00 59.35 ATOM 943 CB ASN 247 38.748 41.892 −6.206 1.00 48.65 ATOM 944CG ASN 247 37.673 42.965 −6.343 1.00 49.46 ATOM 945 OD1 ASN 247 37.81544.041 −5.800 1.00 34.71 ATOM 946 ND2 ASN 247 36.602 42.670 −7.065 1.0032.52 TER ATOM 947 ZN ZN2 B 258 50.203 40.407 1.793 1.00 35.76 ATOM 948C ACY B 259 47.704 37.868 1.932 1.00 65.42 ATOM 949 O ACY B 259 47.75837.530 3.162 1.00 54.29 ATOM 950 OXT ACY B 259 48.249 38.912 1.482 1.0052.67 ATOM 951 CH3 ACY B 259 46.973 37.009 0.925 1.00 47.10 TER ATOM 952N ARG 14 50.990 63.026 −26.073 1.00 56.18 ATOM 953 CA ARG 14 50.01164.106 −25.960 1.00 93.83 ATOM 954 C ARG 14 49.059 63.972 −24.779 1.000.95 ATOM 955 O ARG 14 48.591 62.882 −24.432 1.00 0.99 ATOM 956 CB ARG14 49.303 64.396 −27.281 1.00 91.72 ATOM 957 CG ARG 14 49.942 65.578−27.967 1.00 98.01 ATOM 958 CD ARG 14 51.285 65.865 −27.304 1.00 0.59ATOM 959 NE ARG 14 51.414 67.252 −26.865 1.00 0.30 ATOM 960 CZ ARG 1452.447 67.718 −26.171 1.00 0.57 ATOM 961 NH1 ARG 14 53.439 66.901−25.833 1.00 0.47 ATOM 962 NH2 ARG 14 52.489 68.998 −25.814 1.00 0.76ATOM 963 N ASN 15 48.763 65.135 −24.216 1.00 0.82 ATOM 964 CA ASN 1548.731 65.331 −22.775 1.00 0.69 ATOM 965 C ASN 15 47.386 65.418 −22.0641.00 0.82 ATOM 966 O ASN 15 47.347 65.506 −20.840 1.00 0.58 ATOM 967 CBASN 15 49.542 66.580 −22.446 1.00 0.43 ATOM 968 CG ASN 15 50.905 66.253−21.890 1.00 0.83 ATOM 969 OD1 ASN 15 51.045 65.363 −21.057 1.00 0.77ATOM 970 ND2 ASN 15 51.914 66.982 −22.326 1.00 0.18 ATOM 971 N LEU 1646.303 65.428 −22.829 1.00 93.09 ATOM 972 CA LEU 16 44.939 65.355−22.298 1.00 61.91 ATOM 973 C LEU 16 44.622 66.125 −21.008 1.00 56.02ATOM 974 O LEU 16 45.138 65.822 −19.932 1.00 38.84 ATOM 975 CB LEU 1644.489 63.904 −22.186 1.00 59.10 ATOM 976 CG LEU 16 43.830 63.302−23.430 1.00 70.01 ATOM 977 CD1 LEU 16 44.738 63.432 −24.627 1.00 95.51ATOM 978 CD2 LEU 16 43.495 61.845 −23.180 1.00 64.01 ATOM 979 N PRO 1743.757 67.140 −21.121 1.00 46.50 ATOM 980 CA PRO 17 43.251 67.811−19.919 1.00 51.15 ATOM 981 C PRO 17 42.355 66.835 −19.159 1.00 50.11ATOM 982 O PRO 17 41.764 65.948 −19.781 1.00 53.59 ATOM 983 CB PRO 1742.371 68.932 −20.477 1.00 48.36 ATOM 984 CG PRO 17 42.657 69.003−21.920 1.00 47.75 ATOM 985 CD PRO 17 43.193 67.696 −22.362 1.00 35.50ATOM 986 N ILE 18 42.269 66.982 −17.840 1.00 37.05 ATOM 987 CA ILE 1841.329 66.200 −17.045 1.00 44.06 ATOM 988 C ILE 18 40.165 67.108 −16.6231.00 37.56 ATOM 989 O ILE 18 40.365 68.140 −15.989 1.00 33.36 ATOM 990CB ILE 18 42.022 65.555 −15.835 1.00 40.66 ATOM 991 CG1 ILE 18 43.08364.544 −16.310 1.00 47.12 ATOM 992 CG2 ILE 18 41.009 64.864 −14.932 1.0045.97 ATOM 993 CD1 ILE 18 44.084 64.145 −15.235 1.00 36.80 ATOM 994 NASN 19 38.963 66.745 −17.035 1.00 32.51 ATOM 995 CA ASN 19 37.764 67.513−16.705 1.00 35.21 ATOM 996 C ASN 19 37.639 67.863 −15.230 1.00 40.29ATOM 997 O ASN 19 37.423 69.016 −14.893 1.00 34.49 ATOM 998 CB ASN 1936.511 66.771 −17.157 1.00 47.76 ATOM 999 CG ASN 19 36.476 66.555−18.648 1.00 51.75 ATOM 1000 OD1 ASN 19 35.652 67.140 −19.335 1.00 61.29ATOM 1001 ND2 ASN 19 37.372 65.715 −19.160 1.00 31.66 ATOM 1002 N GLN 2037.795 66.879 −14.348 1.00 36.73 ATOM 1003 CA GLN 20 37.707 67.140−12.919 1.00 33.67 ATOM 1004 C GLN 20 38.670 66.226 −12.183 1.00 35.95ATOM 1005 O GLN 20 38.703 65.023 −12.421 1.00 30.38 ATOM 1006 CB GLN 2036.272 66.916 −12.376 1.00 35.50 ATOM 1007 CG GLN 20 35.140 67.729−13.030 1.00 36.99 ATOM 1008 CD GLN 20 35.230 69.213 −12.750 1.00 47.86ATOM 1009 OE1 GLN 20 35.841 69.622 −11.771 1.00 44.72 ATOM 1010 NE2 GLN20 34.636 70.029 −13.622 1.00 48.95 ATOM 1011 N VAL 21 39.437 66.796−11.267 1.00 30.12 ATOM 1012 CA VAL 21 40.238 65.974 −10.397 1.00 34.50ATOM 1013 C VAL 21 40.183 66.600 −9.031 1.00 38.21 ATOM 1014 O VAL 2140.161 67.827 −8.905 1.00 43.19 ATOM 1015 CB VAL 21 41.699 65.873−10.883 1.00 38.43 ATOM 1016 CG1 VAL 21 42.278 67.249 −11.082 1.00 32.73ATOM 1017 CG2 VAL 21 42.535 65.141 −9.876 1.00 35.82 ATOM 1018 N GLY 2240.160 65.758 −8.010 1.00 28.80 ATOM 1019 CA GLY 22 40.140 66.202 −6.6301.00 28.65 ATOM 1020 C GLY 22 39.756 65.068 −5.713 1.00 41.36 ATOM 1021O GLY 22 40.296 63.954 −5.820 1.00 37.38 ATOM 1022 N ILE 23 38.81365.339 −4.822 1.00 28.55 ATOM 1023 CA ILE 23 38.422 64.370 −3.802 1.0030.09 ATOM 1024 C ILE 23 36.941 64.073 −3.808 1.00 32.04 ATOM 1025 O ILE23 36.112 64.890 −4.211 1.00 34.87 ATOM 1026 CB ILE 23 38.819 64.839−2.378 1.00 28.66 ATOM 1027 CG1 ILE 23 38.014 66.074 −1.975 1.00 30.62ATOM 1028 CG2 ILE 23 40.303 65.120 −2.308 1.00 40.70 ATOM 1029 CD1 ILE23 38.023 66.347 −0.511 1.00 43.09 ATOM 1030 N THR 48 36.389 69.073−6.903 1.00 24.29 ATOM 1031 CA THR 48 37.274 68.785 −8.006 1.00 31.42ATOM 1032 C THR 48 37.590 70.085 −8.785 1.00 41.99 ATOM 1033 O THR 4836.853 71.081 −8.699 1.00 34.59 ATOM 1034 CB THR 48 36.617 67.751 −8.9501.00 43.46 ATOM 1035 OG1 THR 48 35.426 68.302 −9.502 1.00 43.17 ATOM1036 CG2 THR 48 36.281 66.445 −8.216 1.00 41.57 ATOM 1037 N VAL 4938.683 70.085 −9.537 1.00 34.12 ATOM 1038 CA VAL 49 38.973 71.194−10.463 1.00 29.96 ATOM 1039 C VAL 49 39.461 70.666 −11.801 1.00 39.64ATOM 1040 O VAL 49 39.885 69.522 −11.914 1.00 34.16 ATOM 1041 CB VAL 4940.050 72.148 −9.917 1.00 28.70 ATOM 1042 CG1 VAL 49 39.613 72.760−8.609 1.00 34.65 ATOM 1043 CG2 VAL 49 41.401 71.413 −9.736 1.00 34.78ATOM 1044 N TYR 50 39.410 71.515 −12.811 1.00 35.35 ATOM 1045 CA TYR 5039.965 71.222 −14.128 1.00 36.36 ATOM 1046 C TYR 50 41.498 71.212−14.090 1.00 30.60 ATOM 1047 O TYR 50 42.117 72.076 −13.476 1.00 48.28ATOM 1048 CB TYR 50 39.477 72.281 −15.104 1.00 43.69 ATOM 1049 CG TYR 5040.034 72.207 −16.498 1.00 44.11 ATOM 1050 CD1 TYR 50 39.424 71.435−17.459 1.00 35.06 ATOM 1051 CD2 TYR 50 41.138 72.972 −16.871 1.00 47.58ATOM 1052 CE1 TYR 50 39.915 71.378 −18.761 1.00 48.54 ATOM 1053 CE2 TYR50 41.642 72.926 −18.166 1.00 60.18 ATOM 1054 CZ TYR 50 41.024 72.130−19.108 1.00 64.39 ATOM 1055 OH TYR 50 41.514 72.087 −20.393 1.00 57.90ATOM 1056 N LEU 51 42.102 70.199 −14.708 1.00 39.41 ATOM 1057 CA LEU 5143.542 70.100 −14.783 1.00 40.03 ATOM 1058 C LEU 51 43.945 70.242−16.241 1.00 49.59 ATOM 1059 O LEU 51 43.620 69.399 −17.048 1.00 35.47ATOM 1060 CB LEU 51 44.031 68.768 −14.227 1.00 43.30 ATOM 1061 CG LEU 5145.544 68.699 −14.050 1.00 47.56 ATOM 1062 CD1 LEU 51 45.938 69.662−12.934 1.00 46.53 ATOM 1063 CD2 LEU 51 46.047 67.274 −13.741 1.00 36.00ATOM 1064 N PRO 52 44.626 71.342 −16.581 1.00 47.01 ATOM 1065 CA PRO 5245.190 71.635 −17.906 1.00 54.47 ATOM 1066 C PRO 52 46.064 70.493−18.441 1.00 47.94 ATOM 1067 O PRO 52 46.671 69.776 −17.665 1.00 42.41ATOM 1068 CB PRO 52 46.074 72.856 −17.643 1.00 45.04 ATOM 1069 CG PRO 5245.583 73.453 −16.384 1.00 58.50 ATOM 1070 CD PRO 52 45.024 72.331−15.569 1.00 44.63 ATOM 1071 N ALA 53 46.140 70.353 −19.754 1.00 48.98ATOM 1072 CA ALA 53 46.895 69.266 −20.372 1.00 58.53 ATOM 1073 C ALA 5348.293 69.022 −19.809 1.00 62.49 ATOM 1074 O ALA 53 48.705 67.877−19.618 1.00 65.81 ATOM 1075 CB ALA 53 46.968 69.474 −21.866 1.00 53.72ATOM 1076 N GLU 54 49.045 70.085 −19.556 1.00 72.43 ATOM 1077 CA GLU 5450.444 69.865 −19.208 1.00 0.41 ATOM 1078 C GLU 54 50.782 70.071 −17.7401.00 90.42 ATOM 1079 O GLU 54 51.950 70.124 −17.369 1.00 95.32 ATOM 1080CB GLU 54 51.388 70.649 −20.125 1.00 0.46 ATOM 1081 CG GLU 54 51.66172.076 −19.713 1.00 0.78 ATOM 1082 CD GLU 54 52.565 72.782 −20.707 1.000.22 ATOM 1083 OE1 GLU 54 52.165 72.905 −21.885 1.00 0.86 ATOM 1084 OE2GLU 54 53.675 73.211 −20.317 1.00 0.17 ATOM 1085 N GLN 55 49.757 70.169−16.905 1.00 74.01 ATOM 1086 CA GLN 55 49.960 70.086 −15.468 1.00 65.50ATOM 1087 C GLN 55 49.842 68.608 −15.100 1.00 60.70 ATOM 1088 O GLN 5548.917 67.942 −15.541 1.00 63.86 ATOM 1089 CB GLN 55 48.915 70.929−14.736 1.00 64.04 ATOM 1090 CG GLN 55 49.232 71.214 −13.274 1.00 67.10ATOM 1091 CD GLN 55 48.245 72.189 −12.656 1.00 78.01 ATOM 1092 OE1 GLN55 47.694 73.048 −13.344 1.00 86.83 ATOM 1093 NE2 GLN 55 48.020 72.061−11.349 1.00 66.25 ATOM 1094 N LYS 56 50.785 68.094 −14.316 1.00 58.08ATOM 1095 CA LYS 56 50.833 66.662 −14.040 1.00 68.32 ATOM 1096 C LYS 5649.826 66.244 −12.981 1.00 68.10 ATOM 1097 O LYS 56 49.327 65.123−13.007 1.00 70.15 ATOM 1098 CB LYS 56 52.240 66.228 −13.606 1.00 86.98ATOM 1099 CG LYS 56 52.324 64.763 −13.177 1.00 0.17 ATOM 1100 CD LYS 5653.736 64.357 −12.796 1.00 0.61 ATOM 1101 CE LYS 56 54.133 64.922−11.443 1.00 0.08 ATOM 1102 NZ LYS 56 55.504 64.490 −11.051 1.00 0.69ATOM 1103 N GLY 57 49.550 67.149 −12.044 1.00 53.87 ATOM 1104 CA GLY 5748.726 66.829 −10.893 1.00 62.82 ATOM 1105 C GLY 57 48.122 68.053−10.237 1.00 69.86 ATOM 1106 O GLY 57 48.528 69.177 −10.513 1.00 61.08ATOM 1107 N THR 58 47.134 67.835 −9.376 1.00 69.78 ATOM 1108 CA THR 5846.546 68.916 −8.602 1.00 71.47 ATOM 1109 C THR 58 47.141 68.858 −7.2051.00 55.97 ATOM 1110 O THR 58 48.036 68.047 −6.951 1.00 59.93 ATOM 1111CB THR 58 44.996 68.800 −8.551 1.00 71.04 ATOM 1112 OG1 THR 58 44.43870.031 −8.090 1.00 77.37 ATOM 1113 CG2 THR 58 44.553 67.657 −7.635 1.0065.11 ATOM 1114 N HIS 59 46.646 69.694 −6.297 1.00 58.22 ATOM 1115 CAHIS 59 47.133 69.677 −4.921 1.00 64.81 ATOM 1116 C HIS 59 46.042 69.180−3.982 1.00 61.25 ATOM 1117 O HIS 59 45.196 69.954 −3.553 1.00 68.43ATOM 1118 CB HIS 59 47.617 71.072 −4.529 1.00 66.44 ATOM 1119 CG HIS 5948.517 71.694 −5.553 1.00 72.69 ATOM 1120 ND1 HIS 59 48.032 72.385−6.639 1.00 76.25 ATOM 1121 CD2 HIS 59 49.864 71.693 −5.667 1.00 76.00ATOM 1122 CE1 HIS 59 49.048 72.802 −7.377 1.00 85.64 ATOM 1123 NE2 HIS59 50.168 72.399 −6.811 1.00 86.98 ATOM 1124 N MSE 60 46.076 67.889−3.661 1.00 65.09 ATOM 1125 CA MSE 60 44.944 67.208 −3.033 1.00 58.00ATOM 1126 C MSE 60 44.570 67.726 −1.654 1.00 50.50 ATOM 1127 O MSE 6043.381 67.791 −1.314 1.00 53.78 ATOM 1128 CB MSE 60 45.194 65.700 −2.9711.00 62.77 ATOM 1129 CG MSE 60 45.200 65.021 −4.331 1.00 87.09 ATOM 1130SE MSE 60 43.419 64.899 −5.187 1.00 78.03 ATOM 1131 CE MSE 60 43.90463.860 −6.770 1.00 92.20 ATOM 1132 N SER 61 45.581 68.100 −0.870 1.0045.42 ATOM 1133 CA SER 61 45.372 68.547 0.512 1.00 47.54 ATOM 1134 C SER61 44.668 69.900 0.647 1.00 55.39 ATOM 1135 O SER 61 44.049 70.185 1.6771.00 61.05 ATOM 1136 CB SER 61 46.682 68.542 1.310 1.00 57.85 ATOM 1137OG SER 61 47.430 69.713 1.078 1.00 61.24 ATOM 1138 N ARG 62 44.75070.732 −0.383 1.00 50.58 ATOM 1139 CA ARG 62 44.031 72.012 −0.363 1.0051.01 ATOM 1140 C ARG 62 42.498 71.881 −0.275 1.00 41.04 ATOM 1141 O ARG62 41.844 72.680 0.363 1.00 44.23 ATOM 1142 CB ARG 62 44.429 72.859−1.569 1.00 50.03 ATOM 1143 CG ARG 62 45.869 73.360 −1.485 1.00 50.73ATOM 1144 CD ARG 62 46.291 74.061 −2.754 1.00 47.50 ATOM 1145 NE ARG 6247.747 74.194 −2.827 1.00 72.17 ATOM 1146 CZ ARG 62 48.391 74.855 −3.7791.00 68.28 ATOM 1147 NH1 ARG 62 47.707 75.454 −4.742 1.00 59.95 ATOM1148 NH2 ARG 62 49.714 74.916 −3.768 1.00 79.31 ATOM 1149 N PHE 6341.940 70.864 −0.917 1.00 41.97 ATOM 1150 CA PHE 63 40.503 70.623 −0.8791.00 44.58 ATOM 1151 C PHE 63 40.028 70.483 0.557 1.00 49.40 ATOM 1152 OPHE 63 39.061 71.123 0.957 1.00 39.22 ATOM 1153 CB PHE 63 40.142 69.371−1.655 1.00 40.89 ATOM 1154 CG PHE 63 40.396 69.475 −3.121 1.00 28.93ATOM 1155 CD1 PHE 63 39.581 70.260 −3.914 1.00 38.88 ATOM 1156 CD2 PHE63 41.431 68.774 −3.706 1.00 35.68 ATOM 1157 CE1 PHE 63 39.790 70.345−5.262 1.00 36.00 ATOM 1158 CE2 PHE 63 41.649 68.846 −5.051 1.00 44.36ATOM 1159 CZ PHE 63 40.829 69.622 −5.838 1.00 30.89 ATOM 1160 N VAL 6440.732 69.655 1.321 1.00 38.51 ATOM 1161 CA VAL 64 40.438 69.431 2.7231.00 36.46 ATOM 1162 C VAL 64 40.702 70.690 3.547 1.00 44.40 ATOM 1163 OVAL 64 39.850 71.084 4.335 1.00 40.10 ATOM 1164 CB VAL 64 41.266 68.2893.305 1.00 54.00 ATOM 1165 CG1 VAL 64 40.964 68.118 4.766 1.00 60.44ATOM 1166 CG2 VAL 64 40.994 67.015 2.546 1.00 63.75 ATOM 1167 N ALA 6541.881 71.300 3.386 1.00 31.61 ATOM 1168 CA ALA 65 42.210 72.537 4.1041.00 46.10 ATOM 1169 C ALA 65 41.122 73.593 3.901 1.00 50.34 ATOM 1170 OALA 65 40.794 74.334 4.815 1.00 45.89 ATOM 1171 CB ALA 65 43.597 73.1053.664 1.00 43.69 ATOM 1172 N LEU 66 40.574 73.650 2.691 1.00 43.19 ATOM1173 CA LEU 66 39.556 74.640 2.360 1.00 41.61 ATOM 1174 C LEU 66 38.34174.405 3.250 1.00 55.17 ATOM 1175 O LEU 66 37.801 75.328 3.841 1.0052.31 ATOM 1176 CB LEU 66 39.194 74.538 0.883 1.00 58.42 ATOM 1177 CGLEU 66 38.117 75.513 0.426 1.00 64.87 ATOM 1178 CD1 LEU 66 38.717 76.8860.319 1.00 65.34 ATOM 1179 CD2 LEU 66 37.506 75.098 −0.901 1.00 68.63ATOM 1180 N MSE 67 37.948 73.147 3.386 1.00 52.78 ATOM 1181 CA MSE 6736.836 72.771 4.261 1.00 43.01 ATOM 1182 C MSE 67 37.085 73.021 5.7461.00 48.38 ATOM 1183 O MSE 67 36.207 73.512 6.447 1.00 45.66 ATOM 1184CB MSE 67 36.457 71.301 4.053 1.00 47.95 ATOM 1185 CG MSE 67 35.69171.069 2.776 1.00 70.03 ATOM 1186 SE MSE 67 34.340 72.453 2.495 1.000.69 ATOM 1187 CE MSE 67 33.466 71.739 0.906 1.00 0.86 ATOM 1188 N GLU68 38.267 72.661 6.231 1.00 40.76 ATOM 1189 CA GLU 68 38.577 72.8437.641 1.00 48.85 ATOM 1190 C GLU 68 38.543 74.316 8.043 1.00 60.66 ATOM1191 O GLU 68 38.178 74.657 9.173 1.00 58.50 ATOM 1192 CB GLU 68 39.93772.238 7.979 1.00 54.20 ATOM 1193 CG GLU 68 40.048 70.756 7.675 1.0071.81 ATOM 1194 CD GLU 68 39.261 69.901 8.646 1.00 93.47 ATOM 1195 OE1GLU 68 38.577 70.470 9.522 1.00 92.19 ATOM 1196 OE2 GLU 68 39.323 68.6588.535 1.00 0.36 ATOM 1197 N GLN 69 38.904 75.188 7.108 1.00 76.80 ATOM1198 CA GLN 69 39.078 76.602 7.419 1.00 92.12 ATOM 1199 C GLN 69 37.76877.374 7.328 1.00 88.66 ATOM 1200 O GLN 69 37.662 78.502 7.804 1.0092.08 ATOM 1201 CB GLN 69 40.112 77.231 6.492 1.00 0.48 ATOM 1202 CG GLN69 40.744 78.483 7.064 1.00 0.89 ATOM 1203 CD GLN 69 41.389 79.351 6.0031.00 0.27 ATOM 1204 OE1 GLN 69 40.999 79.315 4.834 1.00 0.95 ATOM 1205NE2 GLN 69 42.378 80.145 6.407 1.00 0.89 ATOM 1206 N HIS 70 36.77176.758 6.712 1.00 88.30 ATOM 1207 CA HIS 70 35.480 77.402 6.522 1.0091.96 ATOM 1208 C HIS 70 34.461 76.908 7.543 1.00 90.90 ATOM 1209 O HIS70 33.859 75.852 7.374 1.00 0.38 ATOM 1210 CB HIS 70 34.994 77.164 5.0921.00 0.30 ATOM 1211 CG HIS 70 33.507 77.153 4.946 1.00 0.41 ATOM 1212ND1 HIS 70 32.749 76.030 5.177 1.00 0.00 ATOM 1213 CD2 HIS 70 32.64178.125 4.574 1.00 0.21 ATOM 1214 CE1 HIS 70 31.475 76.309 4.967 1.000.57 ATOM 1215 NE2 HIS 70 31.383 77.573 4.597 1.00 0.16 ATOM 1216 N ALA84 34.316 79.531 −5.688 1.00 33.25 ATOM 1217 CA ALA 84 35.233 80.497−6.283 1.00 48.28 ATOM 1218 C ALA 84 36.546 80.459 −5.531 1.00 39.13ATOM 1219 O ALA 84 37.599 80.477 −6.121 1.00 50.56 ATOM 1220 CB ALA 8434.646 81.896 −6.227 1.00 31.09 ATOM 1221 N GLU 85 36.455 80.428 −4.2071.00 35.63 ATOM 1222 CA GLU 85 37.616 80.417 −3.351 1.00 37.98 ATOM 1223C GLU 85 38.447 79.157 −3.599 1.00 46.30 ATOM 1224 O GLU 85 39.66679.170 −3.460 1.00 53.61 ATOM 1225 CB GLU 85 37.171 80.501 −1.896 1.0042.29 ATOM 1226 CG GLU 85 38.298 80.701 −0.924 1.00 80.83 ATOM 1227 CDGLU 85 37.814 81.190 0.415 1.00 0.90 ATOM 1228 OE1 GLU 85 36.587 81.3770.562 1.00 0.66 ATOM 1229 OE2 GLU 85 38.658 81.390 1.316 1.00 0.63 ATOM1230 N MSE 86 37.777 78.073 −3.981 1.00 34.35 ATOM 1231 CA MSE 86 38.45576.797 −4.253 1.00 38.80 ATOM 1232 C MSE 86 39.232 76.811 −5.562 1.0043.36 ATOM 1233 O MSE 86 40.388 76.407 −5.585 1.00 49.32 ATOM 1234 CBMSE 86 37.471 75.622 −4.279 1.00 32.54 ATOM 1235 CG MSE 86 38.089 74.354−4.852 1.00 44.97 ATOM 1236 SE MSE 86 36.780 72.927 −5.113 1.00 63.68ATOM 1237 CE MSE 86 36.010 73.458 −6.821 1.00 28.92 ATOM 1238 N VAL 8738.600 77.253 −6.651 1.00 38.65 ATOM 1239 CA VAL 87 39.295 77.311 −7.9331.00 34.36 ATOM 1240 C VAL 87 40.490 78.256 −7.825 1.00 47.21 ATOM 1241O VAL 87 41.540 78.009 −8.444 1.00 48.22 ATOM 1242 CB VAL 87 38.39177.728 −9.107 1.00 46.20 ATOM 1243 CG1 VAL 87 37.200 76.772 −9.251 1.0040.79 ATOM 1244 CG2 VAL 87 37.909 79.116 −8.920 1.00 49.33 ATOM 1245 NALA 88 40.345 79.313 −7.021 1.00 37.66 ATOM 1246 CA ALA 88 41.443 80.285−6.838 1.00 52.91 ATOM 1247 C ALA 88 42.581 79.670 −6.038 1.00 61.51ATOM 1248 O ALA 88 43.749 79.856 −6.360 1.00 60.52 ATOM 1249 CB ALA 8840.957 81.523 −6.135 1.00 46.70 ATOM 1250 N LEU 89 42.214 78.942 −4.9871.00 56.45 ATOM 1251 CA LEU 89 43.163 78.278 −4.115 1.00 52.29 ATOM 1252C LEU 89 43.946 77.154 −4.829 1.00 59.53 ATOM 1253 O LEU 89 45.14676.992 −4.615 1.00 40.19 ATOM 1254 CB LEU 89 42.421 77.713 −2.905 1.0053.20 ATOM 1255 CG LEU 89 43.248 76.881 −1.928 1.00 60.26 ATOM 1256 CD1LEU 89 44.138 77.794 −1.126 1.00 43.38 ATOM 1257 CD2 LEU 89 42.35376.087 −1.011 1.00 58.43 ATOM 1258 N LEU 90 43.268 76.375 −5.666 1.0049.78 ATOM 1259 CA LEU 90 43.935 75.321 −6.421 1.00 62.35 ATOM 1260 CLEU 90 44.539 75.822 −7.733 1.00 64.62 ATOM 1261 O LEU 90 45.059 75.048−8.539 1.00 60.89 ATOM 1262 CB LEU 90 42.973 74.167 −6.657 1.00 47.33ATOM 1263 CG LEU 90 43.040 73.266 −5.431 1.00 59.03 ATOM 1264 CD1 LEU 9041.833 73.426 −4.532 1.00 36.20 ATOM 1265 CD2 LEU 90 43.199 71.844−5.854 1.00 69.47 ATOM 1266 N ASP 91 44.466 77.132 −7.928 1.00 62.53ATOM 1267 CA ASP 91 45.047 77.771 −9.096 1.00 74.18 ATOM 1268 C ASP 9144.501 77.136 −10.370 1.00 64.49 ATOM 1269 O ASP 91 45.269 76.651−11.196 1.00 49.15 ATOM 1270 CB ASP 91 46.574 77.659 −9.041 1.00 79.82ATOM 1271 CG ASP 91 47.201 78.633 −8.051 1.00 0.54 ATOM 1272 OD1 ASP 9146.457 79.411 −7.417 1.00 0.33 ATOM 1273 OD2 ASP 91 48.445 78.634 −7.9181.00 0.26 ATOM 1274 N SER 92 43.176 77.138 −10.523 1.00 57.69 ATOM 1275CA SER 92 42.553 76.515 −11.687 1.00 45.90 ATOM 1276 C SER 92 41.47077.357 −12.389 1.00 51.56 ATOM 1277 O SER 92 40.897 78.243 −11.805 1.0045.21 ATOM 1278 CB SER 92 41.987 75.148 −11.299 1.00 50.32 ATOM 1279 OGSER 92 41.420 74.505 −12.424 1.00 54.21 ATOM 1280 N ARG 93 41.174 77.010−13.637 1.00 60.08 ATOM 1281 CA ARG 93 40.214 77.712 −14.486 1.00 47.03ATOM 1282 C ARG 93 38.743 77.357 −14.182 1.00 59.53 ATOM 1283 O ARG 9337.830 78.115 −14.507 1.00 62.26 ATOM 1284 CB ARG 93 40.534 77.354−15.942 1.00 60.51 ATOM 1285 CG ARG 93 39.779 78.116 −16.998 1.00 79.56ATOM 1286 CD ARG 93 40.076 77.548 −18.388 1.00 92.42 ATOM 1287 NE ARG 9339.647 76.158 −18.521 1.00 86.05 ATOM 1288 CZ ARG 93 38.374 75.770−18.603 1.00 96.18 ATOM 1289 NH1 ARG 93 37.396 76.668 −18.554 1.00 94.70ATOM 1290 NH2 ARG 93 38.070 74.482 −18.725 1.00 84.26 ATOM 1291 N ALA 9438.517 76.204 −13.558 1.00 39.54 ATOM 1292 CA ALA 94 37.175 75.667−13.380 1.00 49.91 ATOM 1293 C ALA 94 37.143 74.595 −12.295 1.00 36.89ATOM 1294 O ALA 94 38.170 74.050 −11.919 1.00 57.00 ATOM 1295 CB ALA 9436.661 75.101 −14.684 1.00 45.18 ATOM 1296 N GLY 95 35.950 74.288−11.804 1.00 48.07 ATOM 1297 CA GLY 95 35.800 73.287 −10.765 1.00 43.22ATOM 1298 C GLY 95 34.370 73.116 −10.281 1.00 49.89 ATOM 1299 O GLY 9533.492 73.863 −10.670 1.00 43.58 ATOM 1300 N ASP 130 35.219 79.330−15.968 1.00 90.21 ATOM 1301 CA ASP 130 35.821 80.546 −16.514 1.00 96.62ATOM 1302 C ASP 130 35.339 81.803 −15.804 1.00 88.70 ATOM 1303 O ASP 13035.222 82.857 −16.416 1.00 82.77 ATOM 1304 CB ASP 130 35.548 80.668−18.015 1.00 0.95 ATOM 1305 CG ASP 130 36.445 79.773 −18.843 1.00 0.53ATOM 1306 OD1 ASP 130 35.915 79.058 −19.724 1.00 0.60 ATOM 1307 OD2 ASP130 37.676 79.784 −18.606 1.00 0.00 ATOM 1308 N GLY 131 35.073 81.693−14.509 1.00 89.33 ATOM 1309 CA GLY 131 34.571 82.821 −13.752 1.00 78.51ATOM 1310 C GLY 131 33.054 82.867 −13.776 1.00 75.79 ATOM 1311 O GLY 13132.443 83.619 −13.016 1.00 71.46 ATOM 1312 N LYS 107 41.732 34.633−14.670 1.00 34.97 ATOM 1313 CA LYS 107 43.065 35.231 −14.759 1.00 52.25ATOM 1314 C LYS 107 44.181 34.257 −14.370 1.00 51.78 ATOM 1315 O LYS 10743.937 33.256 −13.709 1.00 50.24 ATOM 1316 CB LYS 107 43.145 36.472−13.880 1.00 46.87 ATOM 1317 CG LYS 107 42.805 37.721 −14.628 1.00 73.11ATOM 1318 CD LYS 107 41.862 38.578 −13.838 1.00 52.85 ATOM 1319 CE LYS107 42.594 39.537 −12.936 1.00 74.85 ATOM 1320 NZ LYS 107 43.478 40.475−13.679 1.00 60.74 ATOM 1321 N THR 108 45.406 34.585 −14.768 1.00 39.92ATOM 1322 CA THR 108 46.595 33.781 −14.453 1.00 51.78 ATOM 1323 C THR108 47.620 34.538 −13.599 1.00 56.01 ATOM 1324 O THR 108 48.046 35.621−13.972 1.00 48.49 ATOM 1325 CB THR 108 47.265 33.329 −15.743 1.00 58.98ATOM 1326 OG1 THR 108 46.367 32.471 −16.453 1.00 76.08 ATOM 1327 CG2 THR108 48.565 32.578 −15.439 1.00 63.78 ATOM 1328 N ALA 109 48.009 33.972−12.457 1.00 51.19 ATOM 1329 CA ALA 109 48.981 34.617 −11.577 1.00 47.51ATOM 1330 C ALA 109 50.292 34.835 −12.332 1.00 56.59 ATOM 1331 O ALA 10950.692 34.004 −13.122 1.00 58.26 ATOM 1332 CB ALA 109 49.198 33.802−10.318 1.00 52.79 ATOM 1333 N PRO 110 50.940 35.985 −12.120 1.00 60.88ATOM 1334 CA PRO 110 52.063 36.434 −12.954 1.00 54.80 ATOM 1335 C PRO110 53.369 35.605 −12.855 1.00 73.41 ATOM 1336 O PRO 110 54.163 35.648−13.794 1.00 94.80 ATOM 1337 CB PRO 110 52.284 37.871 −12.469 1.00 59.86ATOM 1338 CG PRO 110 51.694 37.885 −11.099 1.00 62.30 ATOM 1339 CD PRO110 50.486 37.051 −11.220 1.00 65.45 ATOM 1340 N VAL 111 53.586 34.877−11.759 1.00 63.03 ATOM 1341 CA VAL 111 54.752 33.999 −11.640 1.00 67.64ATOM 1342 C VAL 111 54.375 32.511 −11.620 1.00 74.71 ATOM 1343 O VAL 11154.850 31.742 −12.447 1.00 70.73 ATOM 1344 CB VAL 111 55.618 34.354−10.406 1.00 71.63 ATOM 1345 CG1 VAL 111 56.663 33.285 −10.150 1.0085.60 ATOM 1346 CG2 VAL 111 56.284 35.686 −10.607 1.00 80.10 ATOM 1347 NSER 112 53.508 32.121 −10.689 1.00 78.75 ATOM 1348 CA SER 112 53.13130.724 −10.506 1.00 75.70 ATOM 1349 C SER 112 52.215 30.186 −11.605 1.0069.51 ATOM 1350 O SER 112 52.104 28.964 −11.801 1.00 49.35 ATOM 1351 CBSER 112 52.460 30.533 −9.146 1.00 52.06 ATOM 1352 OG SER 112 51.11530.965 −9.190 1.00 56.21 ATOM 1353 N GLY 113 51.551 31.102 −12.304 1.0052.71 ATOM 1354 CA GLY 113 50.584 30.746 −13.330 1.00 53.69 ATOM 1355 CGLY 113 49.263 30.170 −12.828 1.00 57.78 ATOM 1356 O GLY 113 48.43629.757 −13.636 1.00 46.82 ATOM 1357 N ILE 114 49.067 30.126 −11.509 1.0048.95 ATOM 1358 CA ILE 114 47.827 29.602 −10.954 1.00 62.98 ATOM 1359 CILE 114 46.650 30.478 −11.372 1.00 62.30 ATOM 1360 O ILE 114 46.71831.709 −11.321 1.00 62.97 ATOM 1361 CB ILE 114 47.875 29.465 −9.417 1.0074.53 ATOM 1362 CG1 ILE 114 49.070 28.614 −8.990 1.00 89.66 ATOM 1363CG2 ILE 114 46.597 28.818 −8.904 1.00 60.35 ATOM 1364 CD1 ILE 114 49.08828.292 −7.508 1.00 0.82 ATOM 1365 N ARG 115 45.581 29.830 −11.809 1.0058.21 ATOM 1366 CA ARG 115 44.416 30.526 −12.333 1.00 66.68 ATOM 1367 CARG 115 43.330 30.751 −11.287 1.00 57.62 ATOM 1368 O ARG 115 43.13529.941 −10.377 1.00 46.10 ATOM 1369 CB ARG 115 43.858 29.777 −13.5361.00 68.26 ATOM 1370 CG ARG 115 44.883 29.623 −14.648 1.00 96.72 ATOM1371 CD ARG 115 44.398 28.685 −15.733 1.00 0.68 ATOM 1372 NE ARG 11543.474 29.337 −16.653 1.00 0.03 ATOM 1373 CZ ARG 115 42.717 28.687−17.530 1.00 0.61 ATOM 1374 NH1 ARG 115 42.768 27.364 −17.601 1.00 0.15ATOM 1375 NH2 ARG 115 41.903 29.359 −18.331 1.00 0.32 ATOM 1376 N SER116 42.647 31.884 −11.413 1.00 42.68 ATOM 1377 CA SER 116 41.529 32.215−10.535 1.00 43.53 ATOM 1378 C SER 116 40.657 33.252 −11.224 1.00 43.72ATOM 1379 O SER 116 41.096 33.941 −12.142 1.00 45.98 ATOM 1380 CB SER116 42.026 32.729 −9.184 1.00 62.92 ATOM 1381 OG SER 116 42.807 33.901−9.331 1.00 72.92 ATOM 1382 N PRO 142 38.424 46.871 −10.783 1.00 23.25ATOM 1383 CA PRO 142 39.252 47.141 −9.606 1.00 26.43 ATOM 1384 C PRO 14240.728 46.924 −9.970 1.00 33.52 ATOM 1385 O PRO 142 41.004 45.944−10.649 1.00 34.13 ATOM 1386 CB PRO 142 38.856 46.034 −8.632 1.00 33.09ATOM 1387 CG PRO 142 37.937 45.094 −9.398 1.00 36.83 ATOM 1388 CD PRO142 37.951 45.482 −10.830 1.00 33.30 ATOM 1389 N VAL 143 41.629 47.802−9.535 1.00 29.80 ATOM 1390 CA VAL 143 43.062 47.647 −9.755 1.00 29.02ATOM 1391 C VAL 143 43.816 48.153 −8.533 1.00 37.92 ATOM 1392 O VAL 14343.207 48.563 −7.551 1.00 42.12 ATOM 1393 CB VAL 143 43.547 48.424−10.977 1.00 45.56 ATOM 1394 CG1 VAL 143 42.719 48.044 −12.211 1.0032.69 ATOM 1395 CG2 VAL 143 43.500 49.926 −10.696 1.00 46.28 ATOM 1396 NTHR 144 45.145 48.098 −8.601 1.00 40.29 ATOM 1397 CA THR 144 46.01948.599 −7.543 1.00 58.11 ATOM 1398 C THR 144 46.639 49.889 −8.022 1.0045.82 ATOM 1399 O THR 144 47.059 49.993 −9.178 1.00 41.15 ATOM 1400 CBTHR 144 47.182 47.625 −7.239 1.00 76.98 ATOM 1401 OG1 THR 144 46.67946.294 −7.072 1.00 84.02 ATOM 1402 CG2 THR 144 47.933 48.057 −5.985 1.0083.55 ATOM 1403 N SER 145 46.701 50.876 −7.145 1.00 36.24 ATOM 1404 CASER 145 47.395 52.108 −7.473 1.00 52.43 ATOM 1405 C SER 145 48.46452.366 −6.424 1.00 54.50 ATOM 1406 O SER 145 48.248 52.133 −5.250 1.0043.53 ATOM 1407 CB SER 145 46.416 53.282 −7.539 1.00 64.86 ATOM 1408 OGSER 145 45.730 53.440 −6.309 1.00 68.39 ATOM 1409 N LEU 146 49.62152.839 −6.852 1.00 56.00 ATOM 1410 CA LEU 146 50.691 53.152 −5.919 1.0062.10 ATOM 1411 C LEU 146 51.116 54.609 −6.109 1.00 44.80 ATOM 1412 OLEU 146 51.243 55.080 −7.229 1.00 49.94 ATOM 1413 CB LEU 146 51.87252.188 −6.111 1.00 66.77 ATOM 1414 CG LEU 146 53.014 52.307 −5.089 1.0065.46 ATOM 1415 CD1 LEU 146 53.480 50.945 −4.611 1.00 57.34 ATOM 1416CD2 LEU 146 54.166 53.135 −5.653 1.00 61.66 ATOM 1417 N CYS 147 51.33955.315 −5.012 1.00 33.12 ATOM 1418 CA CYS 147 51.537 56.760 −5.062 1.0053.22 ATOM 1419 C CYS 147 52.978 57.186 −5.361 1.00 49.05 ATOM 1420 OCYS 147 53.874 56.937 −4.568 1.00 43.23 ATOM 1421 CB CYS 147 51.09557.400 −3.753 1.00 44.07 ATOM 1422 SG CYS 147 51.253 59.215 −3.766 1.0043.71 ATOM 1423 N PRO 148 53.185 57.880 −6.485 1.00 76.53 ATOM 1424 CAPRO 148 54.521 58.339 −6.877 1.00 83.85 ATOM 1425 C PRO 148 55.12059.314 −5.869 1.00 74.03 ATOM 1426 O PRO 148 56.284 59.176 −5.550 1.0061.76 ATOM 1427 CB PRO 148 54.274 59.035 −8.215 1.00 84.26 ATOM 1428 CGPRO 148 52.968 58.508 −8.690 1.00 73.26 ATOM 1429 CD PRO 148 52.16558.287 −7.458 1.00 71.33 ATOM 1430 N CYS 149 54.340 60.266 −5.369 1.0075.80 ATOM 1431 CA CYS 149 54.833 61.219 −4.379 1.00 74.27 ATOM 1432 CCYS 149 55.272 60.535 −3.091 1.00 78.06 ATOM 1433 O CYS 149 56.30760.870 −2.536 1.00 46.90 ATOM 1434 CB CYS 149 53.772 62.281 −4.067 1.0095.66 ATOM 1435 SG CYS 149 54.170 63.366 −2.670 1.00 84.40 ATOM 1436 NSER 150 54.470 59.585 −2.625 1.00 80.75 ATOM 1437 CA SER 150 54.77558.811 −1.431 1.00 64.38 ATOM 1438 C SER 150 56.102 58.067 −1.569 1.0054.94 ATOM 1439 O SER 150 56.914 58.067 −0.646 1.00 38.94 ATOM 1440 CBSER 150 53.651 57.807 −1.173 1.00 69.77 ATOM 1441 OG SER 150 53.89957.028 −0.023 1.00 33.31 ATOM 1442 N LYS 151 56.300 57.406 −2.708 1.0033.12 ATOM 1443 CA LYS 151 57.547 56.698 −2.989 1.00 68.45 ATOM 1444 CLYS 151 58.748 57.658 −3.032 1.00 66.78 ATOM 1445 O LYS 151 59.75157.458 −2.357 1.00 57.85 ATOM 1446 CB LYS 151 57.428 55.963 −4.320 1.0071.24 ATOM 1447 CG LYS 151 58.697 55.259 −4.746 1.00 76.97 ATOM 1448 CDLYS 151 58.592 54.692 −6.148 1.00 68.20 ATOM 1449 CE LYS 151 59.88954.020 −6.539 1.00 58.17 ATOM 1450 NZ LYS 151 59.812 53.468 −7.902 1.0059.77 ATOM 1451 N GLU 152 58.613 58.706 −3.829 1.00 78.41 ATOM 1452 CAGLU 152 59.640 59.730 −4.021 1.00 92.52 ATOM 1453 C GLU 152 60.15360.386 −2.735 1.00 79.43 ATOM 1454 O GLU 152 61.339 60.642 −2.602 1.0069.31 ATOM 1455 CB GLU 152 59.091 60.802 −4.962 1.00 0.08 ATOM 1456 CGGLU 152 60.011 61.960 −5.246 1.00 0.79 ATOM 1457 CD GLU 152 59.32363.033 −6.072 1.00 0.24 ATOM 1458 OE1 GLU 152 58.216 63.464 −5.688 1.000.23 ATOM 1459 OE2 GLU 152 59.884 63.443 −7.108 1.00 0.86 ATOM 1460 NILE 153 59.262 60.657 −1.790 1.00 89.96 ATOM 1461 CA ILE 153 59.64261.409 −0.597 1.00 92.18 ATOM 1462 C ILE 153 60.114 60.554 0.576 1.0088.22 ATOM 1463 O ILE 153 60.802 61.052 1.457 1.00 82.43 ATOM 1464 CBILE 153 58.513 62.359 −0.108 1.00 86.38 ATOM 1465 CG1 ILE 153 57.29861.558 0.386 1.00 77.79 ATOM 1466 CG2 ILE 153 58.133 63.347 −1.202 1.0083.92 ATOM 1467 CD1 ILE 153 56.227 62.397 1.037 1.00 62.29 ATOM 1468 NSER 154 59.745 59.278 0.609 1.00 88.01 ATOM 1469 CA SER 154 60.13358.438 1.742 1.00 86.91 ATOM 1470 C SER 154 61.351 57.581 1.418 1.0067.99 ATOM 1471 O SER 154 61.612 57.274 0.263 1.00 52.76 ATOM 1472 CBSER 154 58.960 57.590 2.253 1.00 78.98 ATOM 1473 OG SER 154 58.30456.928 1.197 1.00 77.89 ATOM 1474 N GLN 155 62.102 57.212 2.448 1.0068.23 ATOM 1475 CA GLN 155 63.334 56.454 2.252 1.00 87.17 ATOM 1476 CGLN 155 63.032 54.992 1.942 1.00 86.25 ATOM 1477 O GLN 155 63.870 54.2711.408 1.00 67.23 ATOM 1478 CB GLN 155 64.269 56.587 3.460 1.00 96.47ATOM 1479 CG GLN 155 63.654 56.185 4.786 1.00 0.52 ATOM 1480 CD GLN 15564.638 56.285 5.936 1.00 0.43 ATOM 1481 OE1 GLN 155 65.818 55.963 5.7891.00 0.25 ATOM 1482 NE2 GLN 155 64.156 56.732 7.090 1.00 0.08 ATOM 1483N TYR 156 61.822 54.568 2.284 1.00 82.97 ATOM 1484 CA TYR 156 61.31853.261 1.884 1.00 80.96 ATOM 1485 C TYR 156 59.800 53.229 1.963 1.0080.92 ATOM 1486 O TYR 156 59.193 54.083 2.600 1.00 47.73 ATOM 1487 CBTYR 156 61.929 52.133 2.723 1.00 65.47 ATOM 1488 CG TYR 156 62.16452.459 4.181 1.00 85.68 ATOM 1489 CD1 TYR 156 61.111 52.765 5.027 1.0077.03 ATOM 1490 CD2 TYR 156 63.447 52.438 4.715 1.00 90.55 ATOM 1491 CE1TYR 156 61.328 53.053 6.361 1.00 99.10 ATOM 1492 CE2 TYR 156 63.67252.725 6.044 1.00 96.22 ATOM 1493 CZ TYR 156 62.611 53.031 6.862 1.000.08 ATOM 1494 OH TYR 156 62.837 53.315 8.186 1.00 90.79 ATOM 1495 N GLY157 59.196 52.247 1.304 1.00 72.73 ATOM 1496 CA GLY 157 57.754 52.1031.307 1.00 58.71 ATOM 1497 C GLY 157 57.062 53.124 0.424 1.00 52.06 ATOM1498 O GLY 157 57.631 54.153 0.078 1.00 47.90 ATOM 1499 N ALA 158 55.82452.820 0.046 1.00 33.39 ATOM 1500 CA ALA 158 54.953 53.755 −0.669 1.0056.02 ATOM 1501 C ALA 158 53.518 53.340 −0.406 1.00 62.89 ATOM 1502 OALA 158 53.168 52.178 −0.567 1.00 42.34 ATOM 1503 CB ALA 158 55.23953.745 −2.164 1.00 50.98 ATOM 1504 N HIS 159 52.675 54.268 0.016 1.0053.10 ATOM 1505 CA HIS 159 51.307 53.870 0.280 1.00 50.36 ATOM 1506 CHIS 159 50.642 53.486 −1.043 1.00 46.60 ATOM 1507 O HIS 159 50.84054.135 −2.077 1.00 42.85 ATOM 1508 CB HIS 159 50.528 54.932 1.061 1.0069.62 ATOM 1509 CG HIS 159 50.007 56.049 0.218 1.00 64.17 ATOM 1510 ND1HIS 159 48.869 55.928 −0.549 1.00 65.54 ATOM 1511 CD2 HIS 159 50.45657.306 0.031 1.00 51.87 ATOM 1512 CE1 HIS 159 48.648 57.068 −1.182 1.0052.61 ATOM 1513 NE2 HIS 159 49.595 57.918 −0.846 1.00 61.55 ATOM 1514 NASN 160 49.913 52.376 −1.011 1.00 39.47 ATOM 1515 CA ASN 160 49.14151.929 −2.156 1.00 41.24 ATOM 1516 C ASN 160 47.750 51.588 −1.673 1.0036.77 ATOM 1517 O ASN 160 47.495 51.586 −0.481 1.00 37.08 ATOM 1518 CBASN 160 49.819 50.746 −2.865 1.00 40.95 ATOM 1519 CG ASN 160 50.29849.672 −1.900 1.00 68.88 ATOM 1520 OD1 ASN 160 51.460 49.673 −1.484 1.0066.81 ATOM 1521 ND2 ASN 160 49.411 48.745 −1.545 1.00 28.56 ATOM 1522 NGLN 161 46.855 51.279 −2.591 1.00 26.40 ATOM 1523 CA GLN 161 45.45851.039 −2.236 1.00 43.83 ATOM 1524 C GLN 161 44.713 50.497 −3.417 1.0049.46 ATOM 1525 O GLN 161 45.198 50.553 −4.542 1.00 43.92 ATOM 1526 CBGLN 161 44.775 52.329 −1.777 1.00 57.27 ATOM 1527 CG GLN 161 44.85753.439 −2.784 1.00 60.87 ATOM 1528 CD GLN 161 46.158 54.223 −2.695 1.0052.87 ATOM 1529 OE1 GLN 161 46.634 54.553 −1.601 1.00 41.97 ATOM 1530NE2 GLN 161 46.725 54.545 −3.850 1.00 38.64 ATOM 1531 N ARG 162 43.52249.979 −3.158 1.00 52.54 ATOM 1532 CA ARG 162 42.648 49.553 −4.232 1.0046.71 ATOM 1533 C ARG 162 42.082 50.790 −4.904 1.00 59.05 ATOM 1534 OARG 162 41.814 51.795 −4.270 1.00 42.45 ATOM 1535 CB ARG 162 41.52448.647 −3.711 1.00 54.51 ATOM 1536 CG ARG 162 41.034 47.627 −4.718 1.0071.10 ATOM 1537 CD ARG 162 39.975 46.712 −4.129 1.00 86.06 ATOM 1538 NEARG 162 40.524 45.743 −3.190 1.00 68.39 ATOM 1539 CZ ARG 162 39.80045.092 −2.290 1.00 75.71 ATOM 1540 NH1 ARG 162 38.499 45.318 −2.206 1.0062.22 ATOM 1541 NH2 ARG 162 40.375 44.226 −1.471 1.00 70.75 ATOM 1542 NSER 163 41.938 50.704 −6.211 1.00 37.48 ATOM 1543 CA SER 163 41.36551.764 −7.016 1.00 34.90 ATOM 1544 C SER 163 40.248 51.166 −7.885 1.0042.81 ATOM 1545 O SER 163 40.317 50.026 −8.350 1.00 29.13 ATOM 1546 CBSER 163 42.466 52.414 −7.862 1.00 43.38 ATOM 1547 OG SER 163 41.95653.287 −8.840 1.00 73.12 ATOM 1548 N HIS 164 39.167 51.908 −8.050 1.0025.58 ATOM 1549 CA HIS 164 38.147 51.498 −9.003 1.00 27.06 ATOM 1550 CHIS 164 38.230 52.398 −10.208 1.00 36.62 ATOM 1551 O HIS 164 38.12653.615 −10.089 1.00 35.13 ATOM 1552 CB HIS 164 36.748 51.578 −8.377 1.0033.69 ATOM 1553 CG HIS 164 36.524 50.605 −7.266 1.00 64.30 ATOM 1554 ND1HIS 164 35.667 50.848 −6.221 1.00 73.91 ATOM 1555 CD2 HIS 164 37.05849.374 −7.034 1.00 61.84 ATOM 1556 CE1 HIS 164 35.671 49.816 −5.393 1.0072.47 ATOM 1557 NE2 HIS 164 36.512 48.912 −5.866 1.00 59.98 ATOM 1558 NILE 181 38.345 45.784 −20.306 1.00 27.44 ATOM 1559 CA ILE 181 39.09745.407 −19.126 1.00 29.36 ATOM 1560 C ILE 181 40.614 45.457 −19.407 1.0050.07 ATOM 1561 O ILE 181 41.397 45.908 −18.564 1.00 40.42 ATOM 1562 CBILE 181 38.699 44.026 −18.613 1.00 30.81 ATOM 1563 CG1 ILE 181 37.26644.079 −18.047 1.00 37.62 ATOM 1564 CG2 ILE 181 39.754 43.517 −17.5991.00 29.95 ATOM 1565 CD1 ILE 181 36.677 42.733 −17.652 1.00 39.81 ATOM1566 N ASP 182 41.004 45.009 −20.598 1.00 29.14 ATOM 1567 CA ASP 18242.401 44.978 −21.019 1.00 37.82 ATOM 1568 C ASP 182 42.982 46.400−21.154 1.00 43.42 ATOM 1569 O ASP 182 44.074 46.681 −20.662 1.00 47.73ATOM 1570 CB ASP 182 42.558 44.199 −22.331 1.00 36.01 ATOM 1571 CG ASP182 42.444 42.677 −22.149 1.00 52.83 ATOM 1572 OD1 ASP 182 42.697 42.167−21.032 1.00 49.45 ATOM 1573 OD2 ASP 182 42.108 41.985 −23.144 1.0054.83 ATOM 1574 N TYR 183 42.257 47.303 −21.807 1.00 37.63 ATOM 1575 CATYR 183 42.705 48.693 −21.887 1.00 25.05 ATOM 1576 C TYR 183 43.03649.232 −20.493 1.00 47.61 ATOM 1577 O TYR 183 43.943 50.037 −20.326 1.0041.37 ATOM 1578 CB TYR 183 41.645 49.591 −22.527 1.00 33.40 ATOM 1579 CGTYR 183 41.497 49.479 −24.026 1.00 47.28 ATOM 1580 CD1 TYR 183 42.60049.293 −24.836 1.00 56.26 ATOM 1581 CD2 TYR 183 40.252 49.610 −24.6331.00 38.98 ATOM 1582 CE1 TYR 183 42.477 49.216 −26.207 1.00 67.80 ATOM1583 CE2 TYR 183 40.115 49.538 −26.001 1.00 55.22 ATOM 1584 CZ TYR 18341.233 49.336 −26.789 1.00 67.84 ATOM 1585 OH TYR 183 41.117 49.255−28.160 1.00 69.73 ATOM 1586 N VAL 184 42.294 48.806 −19.480 1.00 32.30ATOM 1587 CA VAL 184 42.513 49.381 −18.168 1.00 34.08 ATOM 1588 C VAL184 43.614 48.674 −17.387 1.00 36.57 ATOM 1589 O VAL 184 44.448 49.321−16.789 1.00 35.67 ATOM 1590 CB VAL 184 41.228 49.440 −17.308 1.00 40.81ATOM 1591 CG1 VAL 184 41.578 49.791 −15.876 1.00 41.01 ATOM 1592 CG2 VAL184 40.222 50.471 −17.875 1.00 29.23 ATOM 1593 N GLU 185 43.610 47.350−17.391 1.00 40.28 ATOM 1594 CA GLU 185 44.548 46.602 −16.562 1.00 39.88ATOM 1595 C GLU 185 45.993 46.764 −17.037 1.00 49.88 ATOM 1596 O GLU 18546.913 46.795 −16.236 1.00 56.83 ATOM 1597 CB GLU 185 44.119 45.137−16.470 1.00 28.85 ATOM 1598 CG GLU 185 42.883 44.926 −15.585 1.00 48.56ATOM 1599 CD GLU 185 42.538 43.458 −15.405 1.00 52.66 ATOM 1600 OE1 GLU185 42.974 42.658 −16.251 1.00 43.17 ATOM 1601 OE2 GLU 185 41.836 43.100−14.430 1.00 39.75 ATOM 1602 N THR 186 46.158 46.875 −18.348 1.00 56.19ATOM 1603 CA THR 186 47.419 47.226 −18.988 1.00 60.74 ATOM 1604 C THR186 48.080 48.452 −18.356 1.00 54.76 ATOM 1605 O THR 186 49.286 48.488−18.152 1.00 53.36 ATOM 1606 CB THR 186 47.188 47.497 −20.494 1.00 59.55ATOM 1607 OG1 THR 186 47.159 46.253 −21.195 1.00 64.84 ATOM 1608 CG2 THR186 48.287 48.371 −21.078 1.00 66.33 ATOM 1609 N GLN 187 47.274 49.448−18.028 1.00 54.99 ATOM 1610 CA GLN 187 47.774 50.730 −17.551 1.00 53.27ATOM 1611 C GLN 187 47.868 50.860 −16.034 1.00 47.18 ATOM 1612 O GLN 18748.309 51.880 −15.541 1.00 56.60 ATOM 1613 CB GLN 187 46.862 51.845−18.054 1.00 45.99 ATOM 1614 CG GLN 187 46.659 51.847 −19.536 1.00 53.53ATOM 1615 CD GLN 187 47.920 52.226 −20.252 1.00 60.81 ATOM 1616 OE1 GLN187 48.807 52.856 −19.670 1.00 55.31 ATOM 1617 NE2 GLN 187 48.015 51.859−21.520 1.00 47.26 ATOM 1618 N ALA 188 47.427 49.865 −15.283 1.00 44.02ATOM 1619 CA ALA 188 47.445 50.001 −13.834 1.00 52.84 ATOM 1620 C ALA188 48.853 49.795 −13.242 1.00 61.50 ATOM 1621 O ALA 188 49.666 49.088−13.820 1.00 45.67 ATOM 1622 CB ALA 188 46.466 49.037 −13.219 1.00 42.42ATOM 1623 N SER 189 49.135 50.431 −12.103 1.00 36.67 ATOM 1624 CA SER189 50.352 50.161 −11.336 1.00 49.39 ATOM 1625 C SER 189 50.511 48.661−11.189 1.00 62.48 ATOM 1626 O SER 189 51.589 48.122 −11.411 1.00 51.33ATOM 1627 CB SER 189 50.289 50.808 −9.953 1.00 35.57 ATOM 1628 OG SER189 50.524 52.200 −10.040 1.00 49.82 ATOM 1629 N CYS 190 49.420 48.006−10.796 1.00 43.06 ATOM 1630 CA CYS 190 49.286 46.563 −10.919 1.00 42.62ATOM 1631 C CYS 190 47.816 46.122 −10.820 1.00 49.00 ATOM 1632 O CYS 19046.973 46.803 −10.259 1.00 43.56 ATOM 1633 CB CYS 190 50.158 45.805−9.912 1.00 80.65 ATOM 1634 SG CYS 190 50.699 44.183 −10.542 1.00 74.68ATOM 1635 N GLN 191 47.510 44.980 −11.396 1.00 39.65 ATOM 1636 CA GLN191 46.148 44.494 −11.388 1.00 60.24 ATOM 1637 C GLN 191 45.908 43.561−10.210 1.00 52.12 ATOM 1638 O GLN 191 46.837 43.189 −9.515 1.00 49.03ATOM 1639 CB GLN 191 45.831 43.816 −12.715 1.00 61.86 ATOM 1640 CG GLN191 46.995 43.093 −13.327 1.00 60.94 ATOM 1641 CD GLN 191 46.670 42.584−14.698 1.00 63.14 ATOM 1642 OE1 GLN 191 45.933 41.617 −14.849 1.0054.80 ATOM 1643 NE2 GLN 191 47.211 43.236 −15.713 1.00 66.82 ATOM 1644 NLEU 192 44.655 43.205 −9.984 1.00 50.72 ATOM 1645 CA LEU 192 44.28942.365 −8.860 1.00 41.55 ATOM 1646 C LEU 192 44.159 40.920 −9.315 1.0050.00 ATOM 1647 O LEU 192 43.876 40.670 −10.475 1.00 36.32 ATOM 1648 CBLEU 192 42.966 42.845 −8.255 1.00 39.35 ATOM 1649 CG LEU 192 42.94044.272 −7.727 1.00 46.42 ATOM 1650 CD1 LEU 192 41.593 44.607 −7.117 1.0041.02 ATOM 1651 CD2 LEU 192 44.044 44.455 −6.701 1.00 49.16 ATOM 1652 NTYR 193 44.386 39.984 −8.394 1.00 41.05 ATOM 1653 CA TYR 193 44.15638.560 −8.618 1.00 41.75 ATOM 1654 C TYR 193 43.434 37.964 −7.416 1.0045.03 ATOM 1655 O TYR 193 43.612 38.431 −6.290 1.00 56.48 ATOM 1656 CBTYR 193 45.482 37.820 −8.851 1.00 46.33 ATOM 1657 CG TYR 193 46.27938.338 −10.022 1.00 52.84 ATOM 1658 CD1 TYR 193 46.090 37.808 −11.2901.00 47.66 ATOM 1659 CD2 TYR 193 47.222 39.366 −9.863 1.00 49.49 ATOM1660 CE1 TYR 193 46.804 38.273 −12.366 1.00 57.04 ATOM 1661 CE2 TYR 19347.944 39.839 −10.941 1.00 51.34 ATOM 1662 CZ TYR 193 47.730 39.281−12.187 1.00 59.22 ATOM 1663 OH TYR 193 48.427 39.722 −13.273 1.00 45.64ATOM 1664 N GLY 194 42.625 36.934 −7.649 1.00 47.68 ATOM 1665 CA GLY 19441.953 36.252 −6.563 1.00 45.00 ATOM 1666 C GLY 194 42.902 35.350 −5.7831.00 55.57 ATOM 1667 O GLY 194 42.802 35.232 −4.562 1.00 73.94 ATOM 1668N LEU 195 43.828 34.715 −6.495 1.00 56.69 ATOM 1669 CA LEU 195 44.74833.746 −5.903 1.00 68.95 ATOM 1670 C LEU 195 46.190 34.088 −6.238 1.0068.24 ATOM 1671 O LEU 195 46.552 34.129 −7.408 1.00 53.14 ATOM 1672 CBLEU 195 44.431 32.350 −6.431 1.00 55.82 ATOM 1673 CG LEU 195 44.86031.147 −5.603 1.00 63.65 ATOM 1674 CD1 LEU 195 44.173 29.896 −6.124 1.0053.17 ATOM 1675 CD2 LEU 195 46.371 30.988 −5.634 1.00 83.63 ATOM 1676 NLEU 196 47.000 34.331 −5.208 1.00 49.64 ATOM 1677 CA LEU 196 48.43734.577 −5.370 1.00 47.59 ATOM 1678 C LEU 196 49.267 33.743 −4.411 1.0055.36 ATOM 1679 O LEU 196 48.957 33.667 −3.222 1.00 59.50 ATOM 1680 CBLEU 196 48.768 36.045 −5.111 1.00 47.54 ATOM 1681 CG LEU 196 48.08237.053 −6.027 1.00 58.31 ATOM 1682 CD1 LEU 196 48.266 38.450 −5.517 1.0054.87 ATOM 1683 CD2 LEU 196 48.630 36.905 −7.419 1.00 37.88 ATOM 1684 NLYS 197 50.338 33.145 −4.923 1.00 48.39 ATOM 1685 CA LYS 197 51.31132.455 −4.083 1.00 75.76 ATOM 1686 C LYS 197 52.429 33.426 −3.703 1.0071.25 ATOM 1687 O LYS 197 52.485 34.542 −4.228 1.00 49.06 ATOM 1688 CBLYS 197 51.880 31.231 −4.807 1.00 81.92 ATOM 1689 CG LYS 197 50.85530.138 −5.073 1.00 88.40 ATOM 1690 CD LYS 197 49.784 30.130 −3.999 1.000.78 ATOM 1691 CE LYS 197 49.135 28.771 −3.846 1.00 0.41 ATOM 1692 NZLYS 197 49.905 27.924 −2.897 1.00 0.26 ATOM 1693 N ARG 198 53.307 33.004−2.795 1.00 61.35 ATOM 1694 CA ARG 198 54.429 33.836 −2.340 1.00 78.19ATOM 1695 C ARG 198 55.195 34.547 −3.462 1.00 75.65 ATOM 1696 O ARG 19855.372 35.758 −3.408 1.00 52.93 ATOM 1697 CB ARG 198 55.403 33.020−1.491 1.00 91.33 ATOM 1698 CG ARG 198 55.218 33.165 0.001 1.00 0.83ATOM 1699 CD ARG 198 56.126 32.199 0.738 1.00 0.91 ATOM 1700 NE ARG 19856.610 32.758 1.995 1.00 0.29 ATOM 1701 CZ ARG 198 57.805 33.318 2.1521.00 0.90 ATOM 1702 NH1 ARG 198 58.646 33.389 1.128 1.00 0.09 ATOM 1703NH2 ARG 198 58.162 33.803 3.334 1.00 0.42 ATOM 1704 N PRO 199 55.66933.797 −4.471 1.00 70.03 ATOM 1705 CA PRO 199 56.397 34.425 −5.579 1.0066.36 ATOM 1706 C PRO 199 55.541 35.424 −6.351 1.00 71.38 ATOM 1707 OPRO 199 56.103 36.399 −6.843 1.00 55.95 ATOM 1708 CB PRO 199 56.75733.232 −6.482 1.00 64.71 ATOM 1709 CG PRO 199 55.798 32.168 −6.082 1.0073.47 ATOM 1710 CD PRO 199 55.666 32.334 −4.609 1.00 77.02 ATOM 1711 NASP 200 54.227 35.176 −6.456 1.00 60.82 ATOM 1712 CA ASP 200 53.29036.080 −7.142 1.00 63.99 ATOM 1713 C ASP 200 53.146 37.405 −6.410 1.0061.39 ATOM 1714 O ASP 200 53.208 38.477 −7.003 1.00 53.71 ATOM 1715 CBASP 200 51.899 35.453 −7.228 1.00 50.68 ATOM 1716 CG ASP 200 51.85234.256 −8.145 1.00 70.50 ATOM 1717 OD1 ASP 200 52.439 34.336 −9.241 1.0053.74 ATOM 1718 OD2 ASP 200 51.215 33.246 −7.773 1.00 75.96 ATOM 1719 NGLU 201 52.926 37.305 −5.109 1.00 44.34 ATOM 1720 CA GLU 201 52.81138.464 −4.255 1.00 68.64 ATOM 1721 C GLU 201 54.094 39.288 −4.267 1.0064.75 ATOM 1722 O GLU 201 54.046 40.504 −4.319 1.00 40.48 ATOM 1723 CBGLU 201 52.469 38.044 −2.830 1.00 44.67 ATOM 1724 CG GLU 201 52.60839.169 −1.836 1.00 71.92 ATOM 1725 CD GLU 201 51.777 38.957 −0.595 1.0076.03 ATOM 1726 OE1 GLU 201 51.495 37.797 −0.255 1.00 87.45 ATOM 1727OE2 GLU 201 51.404 39.955 0.043 1.00 64.60 ATOM 1728 N LYS 202 55.24338.630 −4.206 1.00 50.01 ATOM 1729 CA LYS 202 56.513 39.334 −4.314 1.0053.02 ATOM 1730 C LYS 202 56.564 40.134 −5.628 1.00 42.78 ATOM 1731 OLYS 202 56.876 41.318 −5.640 1.00 43.49 ATOM 1732 CB LYS 202 57.68538.343 −4.227 1.00 45.02 ATOM 1733 CG LYS 202 59.008 38.947 −4.615 1.0059.66 ATOM 1734 CD LYS 202 60.147 37.932 −4.555 1.00 54.22 ATOM 1735 CELYS 202 61.395 38.559 −5.112 1.00 46.69 ATOM 1736 NZ LYS 202 62.49237.561 −5.135 1.00 0.21 ATOM 1737 N TYR 203 56.261 39.464 −6.729 1.0053.09 ATOM 1738 CA TYR 203 56.204 40.089 −8.045 1.00 64.50 ATOM 1739 CTYR 203 55.245 41.289 −8.106 1.00 61.81 ATOM 1740 O TYR 203 55.56842.322 −8.685 1.00 65.84 ATOM 1741 CB TYR 203 55.783 39.046 −9.075 1.0067.81 ATOM 1742 CG TYR 203 55.679 39.568 −10.477 1.00 64.72 ATOM 1743CD1 TYR 203 56.748 39.472 −11.345 1.00 52.12 ATOM 1744 CD2 TYR 20354.513 40.154 −10.940 1.00 53.63 ATOM 1745 CE1 TYR 203 56.664 39.935−12.633 1.00 60.02 ATOM 1746 CE2 TYR 203 54.421 40.629 −12.241 1.0064.08 ATOM 1747 CZ TYR 203 55.506 40.510 −13.079 1.00 69.98 ATOM 1748 OHTYR 203 55.444 40.975 −14.365 1.00 69.48 ATOM 1749 N VAL 204 54.06841.150 −7.506 1.00 60.20 ATOM 1750 CA VAL 204 53.038 42.203 −7.576 1.0078.24 ATOM 1751 C VAL 204 53.422 43.441 −6.723 1.00 47.17 ATOM 1752 OVAL 204 53.315 44.579 −7.181 1.00 43.11 ATOM 1753 CB VAL 204 51.61241.622 −7.250 1.00 43.63 ATOM 1754 CG1 VAL 204 51.277 41.757 −5.775 1.0047.36 ATOM 1755 CG2 VAL 204 50.563 42.242 −8.102 1.00 71.25 ATOM 1756 NTHR 205 53.905 43.205 −5.506 1.00 44.47 ATOM 1757 CA THR 205 54.46144.244 −4.633 1.00 52.60 ATOM 1758 C THR 205 55.540 45.083 −5.338 1.0057.12 ATOM 1759 O THR 205 55.508 46.328 −5.330 1.00 41.28 ATOM 1760 CBTHR 205 55.107 43.610 −3.363 1.00 61.74 ATOM 1761 OG1 THR 205 54.15342.798 −2.669 1.00 49.23 ATOM 1762 CG2 THR 205 55.642 44.675 −2.418 1.0057.92 ATOM 1763 N GLU 206 56.501 44.386 −5.939 1.00 51.43 ATOM 1764 CAGLU 206 57.652 45.021 −6.587 1.00 49.67 ATOM 1765 C GLU 206 57.27445.784 −7.859 1.00 42.78 ATOM 1766 O GLU 206 57.708 46.911 −8.056 1.0046.60 ATOM 1767 CB GLU 206 58.753 43.979 −6.872 1.00 32.43 ATOM 1768 CGGLU 206 59.406 43.451 −5.608 1.00 67.25 ATOM 1769 CD GLU 206 60.33342.277 −5.874 1.00 94.44 ATOM 1770 OE1 GLU 206 60.462 41.852 −7.044 1.000.36 ATOM 1771 OE2 GLU 206 60.933 41.777 −4.904 1.00 89.69 ATOM 1772 NLYS 207 56.460 45.162 −8.703 1.00 46.45 ATOM 1773 CA LYS 207 56.05245.741 −9.968 1.00 62.72 ATOM 1774 C LYS 207 55.270 47.029 −9.746 1.0063.15 ATOM 1775 O LYS 207 55.445 47.995 −10.483 1.00 51.88 ATOM 1776 CBLYS 207 55.237 44.720 −10.776 1.00 72.67 ATOM 1777 CG LYS 207 54.34245.314 −11.858 1.00 0.74 ATOM 1778 CD LYS 207 55.121 45.667 −13.113 1.000.57 ATOM 1779 CE LYS 207 54.183 45.984 −14.272 1.00 0.12 ATOM 1780 NZLYS 207 54.926 46.230 −15.540 1.00 0.37 ATOM 1781 N ALA 208 54.41947.044 −8.721 1.00 51.93 ATOM 1782 CA ALA 208 53.653 48.245 −8.383 1.0052.25 ATOM 1783 C ALA 208 54.595 49.340 −7.896 1.00 57.98 ATOM 1784 OALA 208 54.459 50.512 −8.252 1.00 36.09 ATOM 1785 CB ALA 208 52.59847.938 −7.319 1.00 38.82 ATOM 1786 N TYR 209 55.565 48.948 −7.077 1.0052.31 ATOM 1787 CA TYR 209 56.567 49.884 −6.594 1.00 56.68 ATOM 1788 CTYR 209 57.336 50.530 −7.761 1.00 64.16 ATOM 1789 O TYR 209 57.63451.710 −7.726 1.00 52.26 ATOM 1790 CB TYR 209 57.510 49.192 −5.615 1.0051.72 ATOM 1791 CG TYR 209 58.410 50.129 −4.833 1.00 63.67 ATOM 1792 CD1TYR 209 57.999 50.659 −3.608 1.00 59.18 ATOM 1793 CD2 TYR 209 59.66750.478 −5.309 1.00 67.39 ATOM 1794 CE1 TYR 209 58.809 51.499 −2.885 1.0074.90 ATOM 1795 CE2 TYR 209 60.490 51.325 −4.586 1.00 55.98 ATOM 1796 CZTYR 209 60.053 51.832 −3.378 1.00 78.85 ATOM 1797 OH TYR 209 60.85952.676 −2.659 1.00 69.89 ATOM 1798 N GLU 210 57.623 49.764 −8.806 1.0059.87 ATOM 1799 CA GLU 210 58.365 50.287 −9.952 1.00 55.94 ATOM 1800 CGLU 210 57.461 51.050 −10.920 1.00 69.29 ATOM 1801 O GLU 210 57.94851.720 −11.819 1.00 56.02 ATOM 1802 CB GLU 210 59.066 49.155 −10.7021.00 55.80 ATOM 1803 CG GLU 210 59.989 48.312 −9.849 1.00 71.30 ATOM1804 CD GLU 210 60.235 46.923 −10.426 1.00 87.58 ATOM 1805 OE1 GLU 21059.759 46.623 −11.546 1.00 73.11 ATOM 1806 OE2 GLU 210 60.903 46.120−9.748 1.00 93.13 ATOM 1807 N ASN 211 56.144 50.943 −10.751 1.00 52.95ATOM 1808 CA ASN 211 55.228 51.625 −11.660 1.00 72.66 ATOM 1809 C ASN211 54.204 52.491 −10.915 1.00 72.42 ATOM 1810 O ASN 211 53.002 52.267−11.008 1.00 55.20 ATOM 1811 CB ASN 211 54.537 50.614 −12.586 1.00 82.34ATOM 1812 CG ASN 211 53.763 51.281 −13.711 1.00 96.40 ATOM 1813 OD1 ASN211 54.164 52.326 −14.228 1.00 0.40 ATOM 1814 ND2 ASN 211 52.645 50.674−14.097 1.00 93.22 ATOM 1815 N PRO 212 54.685 53.494 −10.171 1.00 55.52ATOM 1816 CA PRO 212 53.771 54.353 −9.417 1.00 50.78 ATOM 1817 C PRO 21252.908 55.193 −10.357 1.00 62.47 ATOM 1818 O PRO 212 53.390 55.633−11.396 1.00 43.99 ATOM 1819 CB PRO 212 54.717 55.271 −8.633 1.00 44.67ATOM 1820 CG PRO 212 56.099 54.674 −8.786 1.00 53.75 ATOM 1821 CD PRO212 56.078 53.969 −10.087 1.00 52.24 ATOM 1822 N LYS 213 51.647 55.402−10.000 1.00 50.06 ATOM 1823 CA LYS 213 50.733 56.202 −10.821 1.00 60.06ATOM 1824 C LYS 213 49.698 56.946 −9.986 1.00 37.78 ATOM 1825 O LYS 21348.985 56.351 −9.184 1.00 49.66 ATOM 1826 CB LYS 213 50.019 55.344−11.877 1.00 59.67 ATOM 1827 CG LYS 213 50.842 55.087 −13.119 1.00 67.39ATOM 1828 CD LYS 213 50.009 54.535 −14.255 1.00 71.54 ATOM 1829 CE LYS213 50.909 53.988 −15.349 1.00 66.53 ATOM 1830 NZ LYS 213 50.180 53.601−16.586 1.00 54.59 ATOM 1831 N PHE 214 49.644 58.254 −10.189 1.00 44.37ATOM 1832 CA PHE 214 48.577 59.094 −9.666 1.00 57.67 ATOM 1833 C PHE 21447.257 58.759 −10.339 1.00 50.58 ATOM 1834 O PHE 214 47.235 58.167−11.414 1.00 52.80 ATOM 1835 CB PHE 214 48.882 60.570 −9.950 1.00 53.34ATOM 1836 CG PHE 214 49.983 61.143 −9.112 1.00 60.66 ATOM 1837 CD1 PHE214 49.924 61.093 −7.730 1.00 75.57 ATOM 1838 CD2 PHE 214 51.063 61.763−9.708 1.00 74.87 ATOM 1839 CE1 PHE 214 50.932 61.631 −6.959 1.00 68.54ATOM 1840 CE2 PHE 214 52.075 62.307 −8.943 1.00 73.49 ATOM 1841 CZ PHE214 52.009 62.240 −7.565 1.00 65.16 ATOM 1842 N VAL 215 46.161 59.189−9.721 1.00 50.21 ATOM 1843 CA VAL 215 44.838 59.073 −10.332 1.00 32.24ATOM 1844 C VAL 215 44.760 59.862 −11.663 1.00 39.63 ATOM 1845 O VAL 21544.097 59.449 −12.616 1.00 34.93 ATOM 1846 CB VAL 215 43.736 59.462−9.328 1.00 49.44 ATOM 1847 CG1 VAL 215 43.564 60.964 −9.245 1.00 40.48ATOM 1848 CG2 VAL 215 42.442 58.814 −9.698 1.00 43.26 ATOM 1849 N GLU216 45.483 60.976 −11.741 1.00 31.87 ATOM 1850 CA GLU 216 45.604 61.740−12.985 1.00 37.07 ATOM 1851 C GLU 216 46.236 60.948 −14.124 1.00 42.58ATOM 1852 O GLU 216 45.774 61.005 −15.267 1.00 37.19 ATOM 1853 CB GLU216 46.392 63.038 −12.760 1.00 37.27 ATOM 1854 CG GLU 216 45.753 63.982−11.734 1.00 55.63 ATOM 1855 CD GLU 216 46.293 63.800 −10.315 1.00 64.24ATOM 1856 OE1 GLU 216 46.794 62.710 −9.987 1.00 72.74 ATOM 1857 OE2 GLU216 46.212 64.750 −9.514 1.00 72.11 ATOM 1858 N ASP 217 47.297 60.209−13.821 1.00 42.79 ATOM 1859 CA ASP 217 47.967 59.411 −14.846 1.00 48.33ATOM 1860 C ASP 217 47.118 58.237 −15.292 1.00 43.56 ATOM 1861 O ASP 21747.070 57.918 −16.475 1.00 45.97 ATOM 1862 CB ASP 217 49.316 58.927−14.338 1.00 53.19 ATOM 1863 CG ASP 217 50.191 60.065 −13.902 1.00 69.65ATOM 1864 OD1 ASP 217 50.265 61.060 −14.662 1.00 73.54 ATOM 1865 OD2 ASP217 50.782 59.977 −12.801 1.00 68.83 ATOM 1866 N MSE 218 46.443 57.609−14.336 1.00 37.35 ATOM 1867 CA MSE 218 45.542 56.503 −14.634 1.00 39.78ATOM 1868 C MSE 218 44.546 56.896 −15.734 1.00 24.72 ATOM 1869 O MSE 21844.499 56.279 −16.796 1.00 29.59 ATOM 1870 CB MSE 218 44.810 56.050−13.362 1.00 58.79 ATOM 1871 CG MSE 218 44.073 54.718 −13.480 1.00 77.38ATOM 1872 SE MSE 218 45.130 53.300 −14.337 1.00 0.47 ATOM 1873 CE MSE218 44.023 51.745 −13.914 1.00 0.92 ATOM 1874 N VAL 219 43.774 57.954−15.494 1.00 29.59 ATOM 1875 CA VAL 219 42.719 58.311 −16.429 1.00 26.43ATOM 1876 C VAL 219 43.272 58.802 −17.751 1.00 27.62 ATOM 1877 O VAL 21942.717 58.504 −18.809 1.00 32.99 ATOM 1878 CB VAL 219 41.705 59.336−15.837 1.00 36.95 ATOM 1879 CG1 VAL 219 41.063 58.766 −14.612 1.0035.83 ATOM 1880 CG2 VAL 219 42.391 60.634 −15.492 1.00 30.34 ATOM 1881 NARG 220 44.362 59.557 −17.691 1.00 30.45 ATOM 1882 CA ARG 220 45.02459.991 −18.917 1.00 43.29 ATOM 1883 C ARG 220 45.473 58.811 −19.757 1.0039.78 ATOM 1884 O ARG 220 45.241 58.785 −20.961 1.00 49.09 ATOM 1885 CBARG 220 46.204 60.899 −18.606 1.00 37.68 ATOM 1886 CG ARG 220 45.78762.334 −18.434 1.00 41.30 ATOM 1887 CD ARG 220 46.922 63.184 −17.8771.00 37.85 ATOM 1888 NE ARG 220 46.562 64.587 −18.004 1.00 44.94 ATOM1889 CZ ARG 220 47.039 65.568 −17.253 1.00 47.83 ATOM 1890 NH1 ARG 22047.911 65.315 −16.293 1.00 39.44 ATOM 1891 NH2 ARG 220 46.630 66.808−17.468 1.00 46.76 ATOM 1892 N ASP 221 46.091 57.825 −19.116 1.00 30.84ATOM 1893 CA ASP 221 46.593 56.663 −19.863 1.00 39.37 ATOM 1894 C ASP221 45.487 55.785 −20.456 1.00 39.67 ATOM 1895 O ASP 221 45.582 55.333−21.584 1.00 44.32 ATOM 1896 CB ASP 221 47.527 55.840 −18.990 1.00 50.33ATOM 1897 CG ASP 221 48.803 56.596 −18.628 1.00 76.67 ATOM 1898 OD1 ASP221 49.064 57.668 −19.227 1.00 84.23 ATOM 1899 OD2 ASP 221 49.549 56.121−17.741 1.00 61.34 ATOM 1900 N VAL 222 44.411 55.570 −19.707 1.00 35.67ATOM 1901 CA VAL 222 43.286 54.801 −20.242 1.00 37.76 ATOM 1902 C VAL222 42.568 55.554 −21.366 1.00 32.07 ATOM 1903 O VAL 222 42.181 54.959−22.366 1.00 38.73 ATOM 1904 CB VAL 222 42.265 54.474 −19.163 1.00 30.54ATOM 1905 CG1 VAL 222 41.055 53.806 −19.798 1.00 34.98 ATOM 1906 CG2 VAL222 42.880 53.609 −18.116 1.00 31.33 ATOM 1907 N ALA 223 42.408 56.867−21.189 1.00 27.50 ATOM 1908 CA ALA 223 41.684 57.696 −22.152 1.00 38.49ATOM 1909 C ALA 223 42.393 57.706 −23.496 1.00 41.28 ATOM 1910 O ALA 22341.755 57.705 −24.540 1.00 35.49 ATOM 1911 CB ALA 223 41.531 59.102−21.634 1.00 32.48 ATOM 1912 N THR 224 43.722 57.720 −23.457 1.00 38.65ATOM 1913 CA THR 224 44.515 57.719 −24.679 1.00 41.10 ATOM 1914 C THR224 44.251 56.444 −25.487 1.00 40.22 ATOM 1915 O THR 224 44.079 56.490−26.702 1.00 44.23 ATOM 1916 CB THR 224 45.997 57.847 −24.361 1.00 34.72ATOM 1917 OG1 THR 224 46.230 59.095 −23.701 1.00 47.19 ATOM 1918 CG2 THR224 46.809 57.787 −25.634 1.00 51.18 ATOM 1919 N SER 225 44.206 55.306−24.803 1.00 35.60 ATOM 1920 CA SER 225 43.861 54.041 −25.456 1.00 47.00ATOM 1921 C SER 225 42.478 54.062 −26.070 1.00 45.84 ATOM 1922 O SER 22542.288 53.536 −27.161 1.00 42.17 ATOM 1923 CB SER 225 43.921 52.878−24.479 1.00 42.92 ATOM 1924 OG SER 225 45.122 52.899 −23.754 1.00 48.51ATOM 1925 N LEU 226 41.518 54.662 −25.370 1.00 37.09 ATOM 1926 CA LEU226 40.133 54.686 −25.853 1.00 36.24 ATOM 1927 C LEU 226 40.008 55.632−27.036 1.00 37.89 ATOM 1928 O LEU 226 39.325 55.318 −28.006 1.00 43.78ATOM 1929 CB LEU 226 39.165 55.081 −24.729 1.00 34.97 ATOM 1930 CG LEU226 39.134 54.201 −23.479 1.00 33.84 ATOM 1931 CD1 LEU 226 38.220 54.802−22.430 1.00 50.41 ATOM 1932 CD2 LEU 226 38.715 52.749 −23.789 1.0039.51 ATOM 1933 N ILE 227 40.697 56.774 −26.953 1.00 36.57 ATOM 1934 CAILE 227 40.717 57.772 −28.015 1.00 45.24 ATOM 1935 C ILE 227 41.25057.172 −29.305 1.00 47.23 ATOM 1936 O ILE 227 40.767 57.485 −30.391 1.0049.27 ATOM 1937 CB ILE 227 41.584 58.982 −27.644 1.00 47.34 ATOM 1938CG1 ILE 227 40.827 59.893 −26.683 1.00 43.33 ATOM 1939 CG2 ILE 22742.004 59.759 −28.913 1.00 38.95 ATOM 1940 CD1 ILE 227 41.690 60.899−26.055 1.00 47.18 ATOM 1941 N ALA 228 42.242 56.296 −29.169 1.00 33.22ATOM 1942 CA ALA 228 42.793 55.595 −30.316 1.00 51.83 ATOM 1943 C ALA228 41.791 54.642 −30.994 1.00 62.10 ATOM 1944 O ALA 228 41.712 54.585−32.215 1.00 60.35 ATOM 1945 CB ALA 228 44.061 54.864 −29.931 1.00 49.81ATOM 1946 N ASP 229 41.017 53.908 −30.207 1.00 48.90 ATOM 1947 CA ASP229 40.031 52.979 −30.765 1.00 44.21 ATOM 1948 C ASP 229 38.912 53.684−31.570 1.00 52.96 ATOM 1949 O ASP 229 38.167 54.496 −31.024 1.00 56.32ATOM 1950 CB ASP 229 39.422 52.149 −29.638 1.00 63.61 ATOM 1951 CG ASP229 38.777 50.880 −30.137 1.00 71.21 ATOM 1952 OD1 ASP 229 37.992 50.927−31.117 1.00 54.93 ATOM 1953 OD2 ASP 229 39.065 49.829 −29.541 1.0059.40 ATOM 1954 N SER 239 38.540 57.458 −12.331 1.00 32.02 ATOM 1955 CASER 239 39.261 56.623 −11.403 1.00 36.49 ATOM 1956 C SER 239 39.02757.122 −9.984 1.00 38.44 ATOM 1957 O SER 239 39.101 58.312 −9.694 1.0036.92 ATOM 1958 CB SER 239 40.740 56.592 −11.742 1.00 34.93 ATOM 1959 OGSER 239 41.417 55.702 −10.880 1.00 60.83 ATOM 1960 N GLU 240 38.69156.205 −9.102 1.00 23.58 ATOM 1961 CA GLU 240 38.605 56.532 −7.698 1.0029.00 ATOM 1962 C GLU 240 39.659 55.781 −6.871 1.00 42.70 ATOM 1963 OGLU 240 39.693 54.562 −6.885 1.00 34.93 ATOM 1964 CB GLU 240 37.20656.221 −7.195 1.00 21.31 ATOM 1965 CG GLU 240 37.038 56.469 −5.723 1.0044.72 ATOM 1966 CD GLU 240 35.586 56.521 −5.345 1.00 61.73 ATOM 1967 OE1GLU 240 34.730 56.323 −6.244 1.00 55.18 ATOM 1968 OE2 GLU 240 35.30156.770 −4.156 1.00 62.28 ATOM 1969 N ASN 241 40.511 56.509 −6.157 1.0035.37 ATOM 1970 CA ASN 241 41.557 55.895 −5.336 1.00 35.84 ATOM 1971 CASN 241 41.181 55.931 −3.868 1.00 44.30 ATOM 1972 O ASN 241 41.13157.006 −3.277 1.00 35.87 ATOM 1973 CB ASN 241 42.846 56.695 −5.458 1.0059.50 ATOM 1974 CG ASN 241 43.834 56.080 −6.385 1.00 74.07 ATOM 1975 OD1ASN 241 45.033 56.159 −6.144 1.00 83.92 ATOM 1976 ND2 ASN 241 43.35355.474 −7.461 1.00 73.43 ATOM 1977 N PHE 242 40.947 54.779 −3.261 1.0034.18 ATOM 1978 CA PHE 242 40.648 54.730 −1.835 1.00 54.06 ATOM 1979 CPHE 242 41.932 54.805 −1.029 1.00 43.36 ATOM 1980 O PHE 242 42.29853.861 −0.319 1.00 42.57 ATOM 1981 CB PHE 242 39.837 53.479 −1.491 1.0049.71 ATOM 1982 CG PHE 242 38.579 53.348 −2.307 1.00 54.48 ATOM 1983 CD1PHE 242 37.400 53.964 −1.899 1.00 48.92 ATOM 1984 CD2 PHE 242 38.58752.633 −3.500 1.00 50.08 ATOM 1985 CE1 PHE 242 36.249 53.865 −2.662 1.0044.33 ATOM 1986 CE2 PHE 242 37.446 52.523 −4.265 1.00 56.26 ATOM 1987 CZPHE 242 36.269 53.144 −3.847 1.00 48.67 ATOM 1988 N GLU 243 42.60355.950 −1.149 1.00 43.70 ATOM 1989 CA GLU 243 43.938 56.145 −0.598 1.0053.80 ATOM 1990 C GLU 243 44.041 55.657 0.836 1.00 54.72 ATOM 1991 O GLU243 43.155 55.892 1.662 1.00 36.12 ATOM 1992 CB GLU 243 44.409 57.600−0.753 1.00 62.42 ATOM 1993 CG GLU 243 43.409 58.632 −0.338 1.00 98.18ATOM 1994 CD GLU 243 43.956 60.032 −0.486 1.00 0.38 ATOM 1995 OE1 GLU243 43.160 60.995 −0.471 1.00 0.85 ATOM 1996 OE2 GLU 243 45.189 60.168−0.625 1.00 0.45 ATOM 1997 N SER 244 45.126 54.946 1.110 1.00 48.15 ATOM1998 CA SER 244 45.254 54.200 2.349 1.00 48.27 ATOM 1999 C SER 24445.764 55.075 3.487 1.00 43.29 ATOM 2000 O SER 244 45.999 54.580 4.5821.00 54.30 ATOM 2001 CB SER 244 46.178 53.001 2.154 1.00 50.70 ATOM 2002OG SER 244 47.495 53.457 1.924 1.00 57.31 ATOM 2003 N ILE 245 45.93856.370 3.225 1.00 38.50 ATOM 2004 CA ILE 245 46.367 57.306 4.273 1.0054.46 ATOM 2005 C ILE 245 45.290 58.330 4.654 1.00 49.60 ATOM 2006 O ILE245 45.474 59.101 5.595 1.00 39.53 ATOM 2007 CB ILE 245 47.658 58.0573.879 1.00 54.37 ATOM 2008 CG1 ILE 245 47.401 58.957 2.669 1.00 54.44ATOM 2009 CG2 ILE 245 48.758 57.075 3.577 1.00 37.95 ATOM 2010 CD1 ILE245 48.629 59.708 2.192 1.00 73.40 ATOM 2011 N HIS 246 44.188 58.3513.908 1.00 43.91 ATOM 2012 CA HIS 246 43.058 59.241 4.206 1.00 49.94ATOM 2013 C HIS 246 41.770 58.429 4.355 1.00 57.65 ATOM 2014 O HIS 24641.754 57.248 4.058 1.00 47.46 ATOM 2015 CB HIS 246 42.893 60.286 3.1041.00 40.63 ATOM 2016 CG HIS 246 44.038 61.253 3.001 1.00 63.27 ATOM 2017ND1 HIS 246 44.749 61.446 1.831 1.00 58.15 ATOM 2018 CD2 HIS 246 44.58562.089 3.912 1.00 61.44 ATOM 2019 CE1 HIS 246 45.683 62.358 2.032 1.0069.99 ATOM 2020 NE2 HIS 246 45.609 62.759 3.288 1.00 70.61 ATOM 2021 NASN 247 40.699 59.050 4.831 1.00 45.02 ATOM 2022 CA ASN 247 39.40758.387 4.820 1.00 41.42 ATOM 2023 C ASN 247 38.445 58.933 3.747 1.0046.46 ATOM 2024 O ASN 247 37.230 58.936 3.930 1.00 59.35 ATOM 2025 CBASN 247 38.748 58.399 6.206 1.00 48.65 ATOM 2026 CG ASN 247 37.67357.326 6.343 1.00 49.46 ATOM 2027 OD1 ASN 247 37.815 56.250 5.800 1.0034.71 ATOM 2028 ND2 ASN 247 36.602 57.621 7.065 1.00 32.52 ATOM 2029 NHIS 248 39.003 59.394 2.636 1.00 43.29 ATOM 2030 CA HIS 248 38.22559.817 1.479 1.00 37.63 ATOM 2031 C HIS 248 39.022 59.392 0.266 1.0032.12 ATOM 2032 O HIS 248 40.113 58.841 0.402 1.00 33.44 ATOM 2033 CBHIS 248 38.002 61.334 1.461 1.00 24.97 ATOM 2034 CG HIS 248 39.26362.130 1.604 1.00 40.81 ATOM 2035 ND1 HIS 248 39.979 62.602 0.523 1.0037.83 ATOM 2036 CD2 HIS 248 39.942 62.535 2.702 1.00 40.18 ATOM 2037 CE1HIS 248 41.038 63.258 0.949 1.00 38.94 ATOM 2038 NE2 HIS 248 41.03663.240 2.269 1.00 39.85 ATOM 2039 N SER 249 38.501 59.662 −0.921 1.0031.92 ATOM 2040 CA SER 249 39.118 59.158 −2.132 1.00 28.87 ATOM 2041 CSER 249 39.662 60.283 −2.973 1.00 31.05 ATOM 2042 O SER 249 39.07761.355 −3.026 1.00 37.57 ATOM 2043 CB SER 249 38.081 58.383 −2.967 1.0034.29 ATOM 2044 OG SER 249 37.538 57.285 −2.250 1.00 37.64 ATOM 2045 NALA 250 40.762 60.012 −3.661 1.00 28.85 ATOM 2046 CA ALA 250 41.19460.819 −4.764 1.00 33.19 ATOM 2047 C ALA 250 40.330 60.391 −5.934 1.0028.86 ATOM 2048 O ALA 250 39.959 59.240 −6.049 1.00 34.36 ATOM 2049 CBALA 250 42.673 60.554 −5.065 1.00 31.23 ATOM 2050 N TYR 251 40.03661.321 −6.826 1.00 33.24 ATOM 2051 CA TYR 251 39.093 61.057 −7.876 1.0029.01 ATOM 2052 C TYR 251 39.442 61.887 −9.119 1.00 33.92 ATOM 2053 OTYR 251 39.828 63.038 −8.993 1.00 33.45 ATOM 2054 CB TYR 251 37.69961.414 −7.347 1.00 32.19 ATOM 2055 CG TYR 251 36.610 61.299 −8.361 1.0032.91 ATOM 2056 CD1 TYR 251 36.196 60.054 −8.816 1.00 29.52 ATOM 2057CD2 TYR 251 35.964 62.429 −8.847 1.00 47.96 ATOM 2058 CE1 TYR 251 35.18059.933 −9.755 1.00 39.22 ATOM 2059 CE2 TYR 251 34.941 62.319 −9.780 1.0046.77 ATOM 2060 CZ TYR 251 34.562 61.066 −10.237 1.00 43.34 ATOM 2061 OHTYR 251 33.557 60.940 −11.171 1.00 54.07 ATOM 2062 N ALA 252 39.31061.309 −10.310 1.00 30.32 ATOM 2063 CA ALA 252 39.456 62.078 −11.5431.00 26.10 ATOM 2064 C ALA 252 38.605 61.518 −12.650 1.00 33.82 ATOM2065 O ALA 252 38.286 60.340 −12.647 1.00 33.50 ATOM 2066 CB ALA 25240.884 62.096 −11.983 1.00 24.77 ATOM 2067 N TYR 253 38.232 62.365−13.604 1.00 23.03 ATOM 2068 CA TYR 253 37.575 61.855 −14.792 1.00 34.29ATOM 2069 C TYR 253 37.791 62.664 −16.044 1.00 34.76 ATOM 2070 O TYR 25337.999 63.864 −15.990 1.00 37.04 ATOM 2071 CB TYR 253 36.078 61.662−14.551 1.00 39.33 ATOM 2072 CG TYR 253 35.200 62.866 −14.735 1.00 44.29ATOM 2073 CD1 TYR 253 35.007 63.439 −15.859 1.00 47.98 ATOM 2074 CD2 TYR253 34.487 63.346 −13.801 1.00 71.67 ATOM 2075 CE1 TYR 253 34.171 64.535−16.015 1.00 64.14 ATOM 2076 CE2 TYR 253 33.654 64.444 −13.979 1.0082.86 ATOM 2077 CZ TYR 253 33.494 65.031 −15.080 1.00 89.73 ATOM 2078 OHTYR 253 32.658 66.122 −15.240 1.00 0.58 TER ATOM 2079 ZN ZN2 B 25850.203 59.884 −1.793 1.00 35.76 ATOM 2080 C ACY B 259 47.704 62.423−1.932 1.00 65.42 ATOM 2081 O ACY B 259 47.758 62.761 −3.162 1.00 54.29ATOM 2082 OXT ACY B 259 48.249 61.379 −1.482 1.00 52.67 ATOM 2083 CH3ACY B 259 46.973 63.282 −0.925 1.00 47.10 TER ENDMDL MODEL 2 TER ATOM 1N ARG 105 12.838 31.677 −7.753 1.00 37.32 ATOM 2 CA ARG 105 11.82330.638 −7.695 1.00 33.40 ATOM 3 C ARG 105 10.667 30.993 −8.623 1.0041.58 ATOM 4 O ARG 105 10.117 32.098 −8.581 1.00 51.52 ATOM 5 CB ARG 10511.326 30.437 −6.269 1.00 40.89 ATOM 6 CG ARG 105 10.462 29.204 −6.1121.00 58.44 ATOM 7 CD ARG 105 9.698 29.219 −4.804 1.00 56.99 ATOM 8 NEARG 105 9.230 27.881 −4.437 1.00 57.40 ATOM 9 CZ ARG 105 8.424 27.637−3.416 1.00 59.07 ATOM 10 NH1 ARG 105 7.994 28.656 −2.684 1.00 44.70ATOM 11 NH2 ARG 105 8.046 26.390 −3.134 1.00 57.95 ATOM 12 N LYS 10610.322 30.047 −9.482 1.00 43.60 ATOM 13 CA LYS 106 9.176 30.219 −10.3671.00 57.50 ATOM 14 C LYS 106 7.853 30.213 −9.582 1.00 51.91 ATOM 15 OLYS 106 7.597 29.322 −8.776 1.00 64.57 ATOM 16 CB LYS 106 9.181 29.140−11.447 1.00 55.51 ATOM 17 CG LYS 106 8.667 29.611 −12.791 1.00 73.50ATOM 18 CD LYS 106 9.636 29.195 −13.884 1.00 89.56 ATOM 19 CE LYS 1068.911 28.719 −15.117 1.00 99.85 ATOM 20 NZ LYS 106 7.842 29.667 −15.4911.00 0.62 ATOM 21 N LYS 107 7.039 31.237 −9.816 1.00 54.02 ATOM 22 CALYS 107 5.719 31.359 −9.197 1.00 55.18 ATOM 23 C LYS 107 4.623 31.427−10.238 1.00 64.44 ATOM 24 O LYS 107 4.890 31.709 −11.408 1.00 67.36ATOM 25 CB LYS 107 5.645 32.591 −8.293 1.00 59.17 ATOM 26 CG LYS 1076.076 32.289 −6.871 1.00 78.01 ATOM 27 CD LYS 107 7.044 33.323 −6.3401.00 42.27 ATOM 28 CE LYS 107 6.290 34.470 −5.703 1.00 76.76 ATOM 29 NZLYS 107 5.410 34.007 −4.585 1.00 63.95 ATOM 30 N THR 108 3.391 31.175−9.794 1.00 52.40 ATOM 31 CA THR 108 2.216 31.207 −10.661 1.00 54.45ATOM 32 C THR 108 1.188 32.249 −10.194 1.00 68.79 ATOM 33 O THR 1080.785 32.251 −9.030 1.00 66.08 ATOM 34 CB THR 108 1.551 29.818 −10.7121.00 69.12 ATOM 35 OG1 THR 108 2.462 28.875 −11.294 1.00 81.63 ATOM 36CG2 THR 108 0.254 29.851 −11.508 1.00 60.33 ATOM 37 N ALA 109 0.76833.129 −11.103 1.00 59.63 ATOM 38 CA ALA 109 −0.208 34.158 −10.780 1.0055.61 ATOM 39 C ALA 109 −1.539 33.521 −10.335 1.00 71.15 ATOM 40 O ALA109 −1.987 32.530 −10.911 1.00 77.38 ATOM 41 CB ALA 109 −0.414 35.084−11.970 1.00 64.89 ATOM 42 N PRO 110 −2.167 34.088 −9.292 1.00 77.07ATOM 43 CA PRO 110 −3.301 33.451 −8.607 1.00 60.99 ATOM 44 C PRO 110−4.581 33.254 −9.428 1.00 75.83 ATOM 45 O PRO 110 −5.376 32.386 −9.0751.00 0.83 ATOM 46 CB PRO 110 −3.554 34.398 −7.428 1.00 69.05 ATOM 47 CGPRO 110 −2.920 35.694 −7.844 1.00 73.14 ATOM 48 CD PRO 110 −1.683 35.259−8.540 1.00 70.35 ATOM 49 N VAL 111 −4.796 34.046 −10.475 1.00 76.98ATOM 50 CA VAL 111 −5.969 33.867 −11.326 1.00 75.05 ATOM 51 C VAL 111−5.617 33.407 −12.751 1.00 83.25 ATOM 52 O VAL 111 −6.118 32.386 −13.2211.00 84.58 ATOM 53 CB VAL 111 −6.859 35.146 −11.386 1.00 80.99 ATOM 54CG1 VAL 111 −7.935 35.014 −12.477 1.00 89.81 ATOM 55 CG2 VAL 111 −7.50835.409 −10.036 1.00 90.98 ATOM 56 N SER 112 −4.763 34.164 −13.431 1.0087.92 ATOM 57 CA SER 112 −4.384 33.866 −14.813 1.00 84.89 ATOM 58 C SER112 −3.470 32.637 −14.961 1.00 80.23 ATOM 59 O SER 112 −3.417 32.026−16.035 1.00 72.07 ATOM 60 CB SER 112 −3.710 35.086 −15.455 1.00 64.52ATOM 61 OG SER 112 −2.361 35.214 −15.020 1.00 67.63 ATOM 62 N GLY 113−2.740 32.293 −13.896 1.00 65.30 ATOM 63 CA GLY 113 −1.815 31.176−13.934 1.00 57.14 ATOM 64 C GLY 113 −0.484 31.488 −14.595 1.00 71.26ATOM 65 O GLY 113 0.410 30.631 −14.638 1.00 69.71 ATOM 66 N ILE 114−0.330 32.710 −15.103 1.00 73.22 ATOM 67 CA ILE 114 0.934 33.108 −15.7381.00 69.42 ATOM 68 C ILE 114 2.125 33.020 −14.779 1.00 68.09 ATOM 69 OILE 114 2.077 33.509 −13.650 1.00 76.48 ATOM 70 CB ILE 114 0.869 34.517−16.368 1.00 73.91 ATOM 71 CG1 ILE 114 −0.334 34.628 −17.303 1.00 89.92ATOM 72 CG2 ILE 114 2.138 34.798 −17.152 1.00 63.39 ATOM 73 CD1 ILE 114−0.366 35.918 −18.089 1.00 0.56 ATOM 74 N ARG 115 3.193 32.389 −15.2481.00 61.46 ATOM 75 CA ARG 115 4.354 32.117 −14.415 1.00 70.33 ATOM 76 CARG 115 5.449 33.180 −14.551 1.00 64.45 ATOM 77 O ARG 115 5.670 33.747−15.625 1.00 63.87 ATOM 78 CB ARG 115 4.903 30.716 −14.718 1.00 74.16ATOM 79 CG ARG 115 3.876 29.607 −14.512 1.00 97.70 ATOM 80 CD ARG 1154.378 28.283 −15.043 1.00 0.22 ATOM 81 NE ARG 115 5.317 27.638 −14.1301.00 0.87 ATOM 82 CZ ARG 115 6.084 26.605 −14.460 1.00 0.60 ATOM 83 NH1ARG 115 6.032 26.101 −15.685 1.00 0.46 ATOM 84 NH2 ARG 115 6.907 26.077−13.567 1.00 0.52 ATOM 85 N SER 116 6.112 33.459 −13.440 1.00 46.36 ATOM86 CA SER 116 7.241 34.376 −13.437 1.00 58.82 ATOM 87 C SER 116 8.11634.069 −12.239 1.00 52.50 ATOM 88 O SER 116 7.667 33.429 −11.292 1.0069.05 ATOM 89 CB SER 116 6.757 35.822 −13.386 1.00 72.93 ATOM 90 OG SER116 6.002 36.061 −12.213 1.00 83.93 ATOM 91 N LEU 117 9.365 34.518−12.295 1.00 50.22 ATOM 92 CA LEU 117 10.334 34.282 −11.237 1.00 47.85ATOM 93 C LEU 117 10.235 35.354 −10.178 1.00 44.22 ATOM 94 O LEU 1179.949 36.505 −10.480 1.00 49.25 ATOM 95 CB LEU 117 11.739 34.333 −11.8091.00 39.11 ATOM 96 CG LEU 117 12.192 33.272 −12.799 1.00 51.74 ATOM 97CD1 LEU 117 13.513 33.721 −13.367 1.00 48.04 ATOM 98 CD2 LEU 117 12.33131.936 −12.105 1.00 46.33 ATOM 99 N LEU 118 10.475 34.980 −8.930 1.0047.30 ATOM 100 CA LEU 118 10.672 35.969 −7.891 1.00 38.20 ATOM 101 C LEU118 12.022 35.699 −7.285 1.00 43.03 ATOM 102 O LEU 118 12.460 34.561−7.267 1.00 38.94 ATOM 103 CB LEU 118 9.584 35.909 −6.813 1.00 48.88ATOM 104 CG LEU 118 9.555 37.141 −5.883 1.00 59.07 ATOM 105 CD1 LEU 1188.998 38.351 −6.609 1.00 50.36 ATOM 106 CD2 LEU 118 8.775 36.905 −4.5951.00 64.70 ATOM 107 N PRO 142 10.324 38.919 0.478 1.00 35.84 ATOM 108 CAPRO 142 9.506 40.128 0.335 1.00 26.02 ATOM 109 C PRO 142 8.056 39.7480.236 1.00 44.44 ATOM 110 O PRO 142 7.763 38.820 −0.506 1.00 49.76 ATOM111 CB PRO 142 9.947 40.718 −1.014 1.00 38.65 ATOM 112 CG PRO 142 10.91839.705 −1.641 1.00 43.31 ATOM 113 CD PRO 142 10.869 38.445 −0.805 1.0041.46 ATOM 114 N VAL 143 7.177 40.433 0.968 1.00 38.87 ATOM 115 CA VAL143 5.740 40.182 0.923 1.00 40.60 ATOM 116 C VAL 143 4.983 41.496 0.9931.00 45.08 ATOM 117 O VAL 143 5.574 42.567 1.073 1.00 57.65 ATOM 118 CBVAL 143 5.270 39.281 2.083 1.00 54.37 ATOM 119 CG1 VAL 143 6.160 38.0462.195 1.00 39.31 ATOM 120 CG2 VAL 143 5.283 40.049 3.384 1.00 52.85 ATOM121 N THR 144 3.670 41.401 0.931 1.00 46.10 ATOM 122 CA THR 144 2.77242.549 1.090 1.00 66.56 ATOM 123 C THR 144 2.120 42.531 2.467 1.00 68.98ATOM 124 O THR 144 1.621 41.494 2.916 1.00 67.59 ATOM 125 CB THR 1441.608 42.519 0.073 1.00 79.38 ATOM 126 OG1 THR 144 2.116 42.247 −1.2371.00 90.84 ATOM 127 CG2 THR 144 0.848 43.849 0.073 1.00 84.80 ATOM 128 NSER 145 2.112 43.673 3.138 1.00 92.35 ATOM 129 CA SER 145 1.414 43.7634.403 1.00 92.76 ATOM 130 C SER 145 0.348 44.831 4.281 1.00 93.23 ATOM131 O SER 145 0.560 45.856 3.638 1.00 93.67 ATOM 132 CB SER 145 2.38744.082 5.536 1.00 93.44 ATOM 133 OG SER 145 3.120 45.259 5.253 1.0094.25 ATOM 134 N LEU 146 −0.811 44.578 4.875 1.00 93.12 ATOM 135 CA LEU146 −1.886 45.558 4.883 1.00 93.52 ATOM 136 C LEU 146 −2.293 45.8546.323 1.00 94.04 ATOM 137 O LEU 146 −2.412 44.943 7.135 1.00 93.70 ATOM138 CB LEU 146 −3.069 45.066 4.048 1.00 92.85 ATOM 139 CG LEU 146 −4.19346.079 3.829 1.00 93.13 ATOM 140 CD1 LEU 146 −4.655 46.067 2.381 1.0092.61 ATOM 141 CD2 LEU 146 −5.349 45.825 4.792 1.00 93.10 ATOM 142 N CYS147 −2.491 47.129 6.639 1.00 94.85 ATOM 143 CA CYS 147 −2.704 47.5458.023 1.00 95.44 ATOM 144 C CYS 147 −4.145 47.388 8.502 1.00 95.11 ATOM145 O CYS 147 −5.049 48.015 7.955 1.00 95.12 ATOM 146 CB CYS 147 −2.26949.000 8.216 1.00 96.58 ATOM 147 SG CYS 147 −2.408 49.540 9.928 1.0097.39 ATOM 148 N PRO 148 −4.354 46.570 9.550 1.00 94.79 ATOM 149 CA PRO148 −5.687 46.343 10.123 1.00 94.46 ATOM 150 C PRO 148 −6.311 47.61610.712 1.00 95.13 ATOM 151 O PRO 148 −7.500 47.853 10.497 1.00 94.91ATOM 152 CB PRO 148 −5.425 45.315 11.233 1.00 94.10 ATOM 153 CG PRO 148−4.110 44.703 10.900 1.00 93.98 ATOM 154 CD PRO 148 −3.320 45.797 10.2561.00 94.69 ATOM 155 N CYS 149 −5.524 48.414 11.438 1.00 95.97 ATOM 156CA CYS 149 −6.015 49.657 12.031 1.00 96.73 ATOM 157 C CYS 149 −6.45450.656 10.961 1.00 97.03 ATOM 158 O CYS 149 −7.487 51.309 11.100 1.0097.11 ATOM 159 CB CYS 149 −4.953 50.289 12.937 1.00 0.39 ATOM 160 SG CYS149 −5.365 51.972 13.513 1.00 98.92 ATOM 161 N SER 150 −5.661 50.7669.897 1.00 97.14 ATOM 162 CA SER 150 −5.968 51.645 8.773 1.00 97.32 ATOM163 C SER 150 −7.297 51.284 8.122 1.00 96.45 ATOM 164 O SER 150 −8.11652.156 7.844 1.00 96.62 ATOM 165 CB SER 150 −4.853 51.566 7.731 1.0097.36 ATOM 166 OG SER 150 −5.142 52.369 6.603 1.00 97.43 ATOM 167 N LYS151 −7.494 49.991 7.874 1.00 95.57 ATOM 168 CA LYS 151 −8.742 49.4747.308 1.00 94.80 ATOM 169 C LYS 151 −9.939 49.737 8.227 1.00 94.79 ATOM170 O LYS 151 −10.957 50.290 7.802 1.00 94.68 ATOM 171 CB LYS 151 −8.61147.970 7.039 1.00 94.03 ATOM 172 CG LYS 151 −9.884 47.324 6.534 1.0093.37 ATOM 173 CD LYS 151 −9.763 45.813 6.462 1.00 92.78 ATOM 174 CE LYS151 −11.067 45.208 5.973 1.00 92.30 ATOM 175 NZ LYS 151 −11.016 43.7345.900 1.00 91.85 ATOM 176 N GLU 152 −9.789 49.335 9.486 1.00 94.88 ATOM177 CA GLU 152 −10.808 49.477 10.524 1.00 99.88 ATOM 178 C GLU 152−11.333 50.906 10.726 1.00 95.41 ATOM 179 O GLU 152 −12.530 51.11110.933 1.00 95.13 ATOM 180 CB GLU 152 −10.246 48.940 11.842 1.00 0.77ATOM 181 CG GLU 152 −11.165 49.055 13.038 1.00 0.86 ATOM 182 CD GLU 152−10.473 48.628 14.318 1.00 0.48 ATOM 183 OE1 GLU 152 −9.369 49.14414.596 1.00 0.36 ATOM 184 OE2 GLU 152 −11.028 47.776 15.043 1.00 0.55ATOM 185 N ILE 153 −10.440 51.891 10.668 1.00 98.72 ATOM 186 CA ILE 153−10.815 53.268 10.987 1.00 0.24 ATOM 187 C ILE 153 −11.296 54.104 9.7971.00 97.15 ATOM 188 O ILE 153 −11.995 55.100 9.988 1.00 97.36 ATOM 189CB ILE 153 −9.682 54.036 11.722 1.00 98.13 ATOM 190 CG1 ILE 153 −8.48054.248 10.800 1.00 98.60 ATOM 191 CG2 ILE 153 −9.289 53.320 13.006 1.0098.08 ATOM 192 CD1 ILE 153 −7.425 55.156 11.380 1.00 99.90 ATOM 193 NSER 154 −10.928 53.719 8.579 1.00 96.66 ATOM 194 CA SER 154 −11.33154.502 7.411 1.00 96.63 ATOM 195 C SER 154 −12.547 53.901 6.712 1.0095.64 ATOM 196 O SER 154 −12.783 52.693 6.793 1.00 94.99 ATOM 197 CB SER154 −10.164 54.702 6.436 1.00 96.93 ATOM 198 OG SER 154 −9.523 53.4816.138 1.00 96.38 ATOM 199 N GLN 155 −13.323 54.750 6.043 1.00 95.57 ATOM200 CA GLN 155 −14.556 54.309 5.394 1.00 94.71 ATOM 201 C GLN 155−14.265 53.543 4.110 1.00 94.12 ATOM 202 O GLN 155 −15.114 52.804 3.6071.00 93.43 ATOM 203 CB GLN 155 −15.493 55.490 5.126 1.00 0.29 ATOM 204CG GLN 155 −14.877 56.622 4.320 1.00 0.53 ATOM 205 CD GLN 155 −15.86657.739 4.039 1.00 0.79 ATOM 206 OE1 GLN 155 −17.047 57.492 3.786 1.000.94 ATOM 207 NE2 GLN 155 −15.387 58.976 4.080 1.00 0.95 ATOM 208 N TYR156 −13.058 53.733 3.586 1.00 94.45 ATOM 209 CA TYR 156 −12.548 52.9232.483 1.00 93.90 ATOM 210 C TYR 156 −11.030 52.991 2.429 1.00 95.21 ATOM211 O TYR 156 −10.417 53.882 3.023 1.00 95.22 ATOM 212 CB TYR 156−13.154 53.337 1.136 1.00 93.42 ATOM 213 CG TYR 156 −13.397 54.821 0.9691.00 96.29 ATOM 214 CD1 TYR 156 −12.340 55.724 0.952 1.00 94.61 ATOM 215CD2 TYR 156 −14.688 55.316 0.804 1.00 93.79 ATOM 216 CE1 TYR 156 −12.56557.086 0.793 1.00 0.99 ATOM 217 CE2 TYR 156 −14.923 56.671 0.643 1.000.56 ATOM 218 CZ TYR 156 −13.859 57.554 0.638 1.00 0.71 ATOM 219 OH TYR156 −14.088 58.902 0.475 1.00 0.86 ATOM 220 N GLY 157 −10.430 52.0391.721 1.00 93.87 ATOM 221 CA GLY 157 −8.989 51.991 1.574 1.00 94.19 ATOM222 C GLY 157 −8.289 51.501 2.826 1.00 94.61 ATOM 223 O GLY 157 −8.86051.502 3.914 1.00 94.83 ATOM 224 N ALA 158 −7.044 51.068 2.658 1.0094.67 ATOM 225 CA ALA 158 −6.180 50.692 3.770 1.00 95.10 ATOM 226 C ALA158 −4.752 50.803 3.273 1.00 95.37 ATOM 227 O ALA 158 −4.422 50.2762.213 1.00 94.74 ATOM 228 CB ALA 158 −6.473 49.274 4.229 1.00 94.43 ATOM229 N HIS 159 −3.899 51.503 4.008 1.00 96.33 ATOM 230 CA HIS 159 −2.53551.633 3.536 1.00 96.64 ATOM 231 C HIS 159 −1.857 50.268 3.619 1.0095.96 ATOM 232 O HIS 159 −2.001 49.541 4.602 1.00 95.83 ATOM 233 CB HIS159 −1.756 52.732 4.276 1.00 97.98 ATOM 234 CG HIS 159 −1.206 52.3065.598 1.00 98.41 ATOM 235 ND1 HIS 159 −0.055 51.560 5.717 1.00 98.28ATOM 236 CD2 HIS 159 −1.641 52.534 6.855 1.00 98.92 ATOM 237 CE1 HIS 1590.190 51.333 6.996 1.00 98.69 ATOM 238 NE2 HIS 159 −0.758 51.915 7.7041.00 99.08 ATOM 239 N ASN 160 −1.173 49.911 2.541 1.00 95.46 ATOM 240 CAASN 160 −0.370 48.706 2.495 1.00 94.85 ATOM 241 C ASN 160 1.022 49.0702.001 1.00 95.19 ATOM 242 O ASN 160 1.264 50.211 1.603 1.00 95.86 ATOM243 CB ASN 160 −1.025 47.634 1.613 1.00 93.70 ATOM 244 CG ASN 160 −1.51048.175 0.286 1.00 93.37 ATOM 245 OD1 ASN 160 −2.673 48.552 0.146 1.0093.31 ATOM 246 ND2 ASN 160 −0.626 48.206 −0.699 1.00 93.09 ATOM 247 NGLN 161 1.941 48.113 2.045 1.00 94.75 ATOM 248 CA GLN 161 3.318 48.3781.664 1.00 95.04 ATOM 249 C GLN 161 4.075 47.079 1.518 1.00 94.19 ATOM250 O GLN 161 3.591 46.011 1.909 1.00 93.54 ATOM 251 CB GLN 161 4.01049.243 2.717 1.00 96.35 ATOM 252 CG GLN 161 3.950 48.667 4.121 1.0096.52 ATOM 253 CD GLN 161 2.646 48.992 4.833 1.00 96.74 ATOM 254 OE1 GLN161 2.166 50.125 4.783 1.00 97.47 ATOM 255 NE2 GLN 161 2.069 47.9985.504 1.00 96.11 ATOM 256 N ARG 162 5.267 47.176 0.948 1.00 94.19 ATOM257 CA ARG 162 6.137 46.029 0.884 1.00 93.45 ATOM 258 C ARG 162 6.69845.798 2.278 1.00 94.02 ATOM 259 O ARG 162 6.983 46.742 3.020 1.00 95.15ATOM 260 CB ARG 162 7.251 46.234 −0.145 1.00 93.25 ATOM 261 CG ARG 1627.743 44.935 −0.778 1.00 92.02 ATOM 262 CD ARG 162 8.796 45.188 −1.8401.00 0.01 ATOM 263 NE ARG 162 8.231 45.757 −3.059 1.00 91.42 ATOM 264 CZARG 162 8.945 46.401 −3.976 1.00 93.79 ATOM 265 NH1 ARG 162 10.25146.567 −3.806 1.00 91.78 ATOM 266 NH2 ARG 162 8.353 46.885 −5.059 1.0091.03 ATOM 267 N SER 163 6.811 44.524 2.632 1.00 47.09 ATOM 268 CA SER163 7.414 44.106 3.886 1.00 43.85 ATOM 269 C SER 163 8.524 43.090 3.5951.00 48.09 ATOM 270 O SER 163 8.397 42.276 2.694 1.00 43.99 ATOM 271 CBSER 163 6.325 43.515 4.786 1.00 51.94 ATOM 272 OG SER 163 6.868 42.9255.949 1.00 81.97 ATOM 273 N HIS 164 9.624 43.166 4.336 1.00 37.14 ATOM274 CA HIS 164 10.651 42.146 4.270 1.00 35.94 ATOM 275 C HIS 164 10.54041.311 5.529 1.00 43.89 ATOM 276 O HIS 164 10.570 41.836 6.643 1.0042.93 ATOM 277 CB HIS 164 12.044 42.772 4.153 1.00 49.63 ATOM 278 CG HIS164 12.264 43.502 2.857 1.00 73.84 ATOM 279 ND1 HIS 164 13.125 44.5822.748 1.00 79.92 ATOM 280 CD2 HIS 164 11.732 43.318 1.632 1.00 68.49ATOM 281 CE1 HIS 164 13.114 45.016 1.501 1.00 79.23 ATOM 282 NE2 HIS 16412.279 44.271 0.797 1.00 71.70 ATOM 283 N GLU 178 13.020 26.531 −0.0971.00 46.89 ATOM 284 CA GLU 178 11.633 26.683 −0.524 1.00 46.96 ATOM 285C GLU 178 10.657 26.422 0.622 1.00 50.17 ATOM 286 O GLU 178 9.596 27.0290.679 1.00 54.75 ATOM 287 CB GLU 178 11.331 25.803 −1.744 1.00 44.87ATOM 288 CG GLU 178 11.198 24.305 −1.443 1.00 70.11 ATOM 289 CD GLU 17812.503 23.640 −1.010 1.00 73.32 ATOM 290 OE1 GLU 178 13.597 24.158−1.347 1.00 65.34 ATOM 291 OE2 GLU 178 12.423 22.588 −0.339 1.00 68.91ATOM 292 N GLU 179 11.035 25.555 1.554 1.00 41.96 ATOM 293 CA GLU 17910.211 25.309 2.743 1.00 45.73 ATOM 294 C GLU 179 10.130 26.536 3.6421.00 38.32 ATOM 295 O GLU 179 9.075 26.827 4.202 1.00 50.81 ATOM 296 CBGLU 179 10.750 24.149 3.585 1.00 42.76 ATOM 297 CG GLU 179 10.771 22.7912.920 1.00 64.32 ATOM 298 CD GLU 179 11.114 21.682 3.911 1.00 77.87 ATOM299 OE1 GLU 179 10.229 21.300 4.717 1.00 65.15 ATOM 300 OE2 GLU 17912.270 21.195 3.887 1.00 62.58 ATOM 301 N VAL 180 11.254 27.239 3.8141.00 33.17 ATOM 302 CA VAL 180 11.223 28.446 4.624 1.00 34.71 ATOM 303 CVAL 180 10.415 29.555 3.927 1.00 41.23 ATOM 304 O VAL 180 9.639 30.2644.553 1.00 37.41 ATOM 305 CB VAL 180 12.630 28.940 5.018 1.00 41.02 ATOM306 CG1 VAL 180 12.522 30.238 5.761 1.00 39.39 ATOM 307 CG2 VAL 18013.319 27.924 5.867 1.00 44.36 ATOM 308 N ILE 181 10.571 29.676 2.6221.00 38.53 ATOM 309 CA ILE 181 9.757 30.616 1.864 1.00 36.63 ATOM 310 CILE 181 8.243 30.322 2.002 1.00 51.18 ATOM 311 O ILE 181 7.433 31.2462.155 1.00 44.19 ATOM 312 CB ILE 181 10.171 30.637 0.377 1.00 35.04 ATOM313 CG1 ILE 181 11.587 31.220 0.239 1.00 31.82 ATOM 314 CG2 ILE 1819.132 31.388 −0.457 1.00 30.75 ATOM 315 CD1 ILE 181 12.198 31.128 −1.1611.00 38.43 ATOM 316 N ASP 182 7.879 29.038 1.964 1.00 40.80 ATOM 317 CAASP 182 6.476 28.607 2.095 1.00 38.01 ATOM 318 C ASP 182 5.902 28.9433.478 1.00 44.33 ATOM 319 O ASP 182 4.818 29.503 3.578 1.00 43.19 ATOM320 CB ASP 182 6.324 27.116 1.775 1.00 37.87 ATOM 321 CG ASP 182 6.45526.819 0.275 1.00 61.34 ATOM 322 OD1 ASP 182 6.189 27.723 −0.553 1.0062.93 ATOM 323 OD2 ASP 182 6.823 25.677 −0.086 1.00 58.69 ATOM 324 N TYR183 6.643 28.636 4.539 1.00 37.99 ATOM 325 CA TYR 183 6.211 29.031 5.8781.00 39.70 ATOM 326 C TYR 183 5.865 30.510 5.957 1.00 52.99 ATOM 327 OTYR 183 4.984 30.910 6.708 1.00 53.89 ATOM 328 CB TYR 183 7.279 28.7396.934 1.00 39.65 ATOM 329 CG TYR 183 7.415 27.289 7.330 1.00 55.07 ATOM330 CD1 TYR 183 6.300 26.457 7.413 1.00 60.10 ATOM 331 CD2 TYR 183 8.65526.756 7.651 1.00 44.43 ATOM 332 CE1 TYR 183 6.421 25.130 7.783 1.0073.20 ATOM 333 CE2 TYR 183 8.787 25.438 8.028 1.00 60.20 ATOM 334 CZ TYR183 7.667 24.625 8.092 1.00 70.47 ATOM 335 OH TYR 183 7.796 23.310 8.4711.00 74.31 ATOM 336 N VAL 184 6.571 31.335 5.201 1.00 40.52 ATOM 337 CAVAL 184 6.324 32.765 5.295 1.00 41.20 ATOM 338 C VAL 184 5.186 33.2304.386 1.00 41.72 ATOM 339 O VAL 184 4.304 33.957 4.826 1.00 46.40 ATOM340 CB VAL 184 7.604 33.624 5.056 1.00 39.23 ATOM 341 CG1 VAL 184 7.23035.090 4.946 1.00 44.52 ATOM 342 CG2 VAL 184 8.605 33.419 6.185 1.0037.38 ATOM 343 N GLU 185 5.203 32.810 3.131 1.00 37.33 ATOM 344 CA GLU185 4.293 33.381 2.156 1.00 40.53 ATOM 345 C GLU 185 2.849 32.980 2.4721.00 58.15 ATOM 346 O GLU 185 1.911 33.744 2.225 1.00 63.95 ATOM 347 CBGLU 185 4.712 32.994 0.739 1.00 37.22 ATOM 348 CG GLU 185 5.944 33.7510.253 1.00 56.36 ATOM 349 CD GLU 185 6.302 33.436 −1.188 1.00 58.49 ATOM350 OE1 GLU 185 5.913 32.355 −1.673 1.00 54.54 ATOM 351 OE2 GLU 1856.981 34.265 −1.837 1.00 55.30 ATOM 352 N THR 186 2.705 31.785 3.0401.00 58.75 ATOM 353 CA THR 186 1.442 31.267 3.556 1.00 61.49 ATOM 354 CTHR 186 0.776 32.254 4.505 1.00 55.72 ATOM 355 O THR 186 −0.429 32.4464.459 1.00 61.05 ATOM 356 CB THR 186 1.684 29.940 4.309 1.00 61.83 ATOM357 OG1 THR 186 1.715 28.860 3.369 1.00 68.11 ATOM 358 CG2 THR 186 0.60329.690 5.335 1.00 71.42 ATOM 359 N GLN 187 1.581 32.898 5.339 1.00 77.31ATOM 360 CA GLN 187 1.078 33.768 6.393 1.00 77.26 ATOM 361 C GLN 1870.934 35.245 6.009 1.00 76.67 ATOM 362 O GLN 187 0.447 36.044 6.804 1.0076.96 ATOM 363 CB GLN 187 2.001 33.671 7.606 1.00 76.96 ATOM 364 CG GLN187 2.215 32.274 8.095 1.00 77.69 ATOM 365 CD GLN 187 0.969 31.712 8.6951.00 79.02 ATOM 366 OE1 GLN 187 0.067 32.456 9.079 1.00 79.37 ATOM 367NE2 GLN 187 0.901 30.393 8.786 1.00 80.11 ATOM 368 N ALA 188 1.37235.626 4.818 1.00 76.11 ATOM 369 CA ALA 188 1.357 37.045 4.464 1.0075.76 ATOM 370 C ALA 188 −0.046 37.533 4.083 1.00 76.42 ATOM 371 O ALA188 −0.874 36.743 3.629 1.00 76.99 ATOM 372 CB ALA 188 2.356 37.3333.344 1.00 75.21 ATOM 373 N SER 189 −0.303 38.828 4.291 1.00 76.61 ATOM374 CA SER 189 −1.531 39.468 3.819 1.00 77.40 ATOM 375 C SER 189 −1.70439.111 2.359 1.00 79.46 ATOM 376 O SER 189 −2.789 38.688 1.933 1.0077.83 ATOM 377 CB SER 189 −1.461 40.989 3.965 1.00 77.73 ATOM 378 OG SER189 −1.641 41.380 5.308 1.00 78.51 ATOM 379 N CYS 190 −0.625 39.3001.602 1.00 76.27 ATOM 380 CA CYS 190 −0.481 38.684 0.291 1.00 76.02 ATOM381 C CYS 190 0.975 38.648 −0.155 1.00 75.41 ATOM 382 O CYS 190 1.80139.427 0.313 1.00 75.21 ATOM 383 CB CYS 190 −1.348 39.366 −0.766 1.0091.77 ATOM 384 SG CYS 190 −1.875 38.213 −2.080 1.00 98.91 ATOM 385 N GLN191 1.288 37.729 −1.057 1.00 75.45 ATOM 386 CA GLN 191 2.659 37.583−1.525 1.00 75.31 ATOM 387 C GLN 191 2.889 38.390 −2.799 1.00 75.40 ATOM388 O GLN 191 1.942 38.898 −3.402 1.00 75.47 ATOM 389 CB GLN 191 2.99836.104 −1.730 1.00 75.73 ATOM 390 CG GLN 191 1.820 35.273 −2.190 1.0076.28 ATOM 391 CD GLN 191 2.140 33.805 −2.240 1.00 80.40 ATOM 392 OE1GLN 191 2.850 33.343 −3.133 1.00 77.60 ATOM 393 NE2 GLN 191 1.612 33.055−1.280 1.00 81.30 ATOM 394 N LEU 192 4.153 38.514 −3.192 1.00 75.60 ATOM395 CA LEU 192 4.528 39.279 −4.379 1.00 75.98 ATOM 396 C LEU 192 4.66138.382 −5.608 1.00 76.53 ATOM 397 O LEU 192 4.959 37.193 −5.494 1.0076.85 ATOM 398 CB LEU 192 5.842 40.025 −4.138 1.00 76.39 ATOM 399 CG LEU192 5.866 40.989 −2.956 1.00 76.19 ATOM 400 CD1 LEU 192 7.208 41.684−2.866 1.00 76.97 ATOM 401 CD2 LEU 192 4.755 42.001 −3.089 1.00 76.14ATOM 402 N TYR 193 4.425 38.961 −6.781 1.00 76.83 ATOM 403 CA TYR 1934.630 38.265 −8.048 1.00 77.60 ATOM 404 C TYR 193 5.343 39.205 −9.0111.00 78.30 ATOM 405 O TYR 193 5.185 40.423 −8.930 1.00 78.11 ATOM 406 CBTYR 193 3.297 37.800 −8.653 1.00 77.49 ATOM 407 CG TYR 193 2.511 36.841−7.782 1.00 77.25 ATOM 408 CD1 TYR 193 2.701 35.469 −7.877 1.00 78.00ATOM 409 CD2 TYR 193 1.572 37.311 −6.865 1.00 76.63 ATOM 410 CE1 TYR 1931.984 34.591 −7.083 1.00 78.10 ATOM 411 CE2 TYR 193 0.853 36.439 −6.0661.00 76.74 ATOM 412 CZ TYR 193 1.064 35.081 −6.183 1.00 77.46 ATOM 413OH TYR 193 0.356 34.211 −5.395 1.00 77.87 ATOM 414 N GLY 194 6.13838.640 −9.913 1.00 79.42 ATOM 415 CA GLY 194 6.809 39.436 −10.923 1.0080.46 ATOM 416 C GLY 194 5.856 39.875 −12.024 1.00 80.39 ATOM 417 O GLY194 5.953 40.991 −12.538 1.00 90.26 ATOM 418 N LEU 195 4.923 38.992−12.375 1.00 80.09 ATOM 419 CA LEU 195 3.999 39.222 −13.483 1.00 80.50ATOM 420 C LEU 195 2.545 39.011 −13.058 1.00 87.63 ATOM 421 O LEU 1952.166 37.913 −12.639 1.00 79.12 ATOM 422 CB LEU 195 4.334 38.281 −14.6411.00 81.47 ATOM 423 CG LEU 195 3.877 38.671 −16.046 1.00 82.08 ATOM 424CD1 LEU 195 4.554 37.777 −17.068 1.00 83.80 ATOM 425 CD2 LEU 195 2.36838.595 −16.186 1.00 91.32 ATOM 426 N LEU 196 1.737 40.062 −13.180 1.0078.72 ATOM 427 CA LEU 196 0.314 39.992 −12.863 1.00 78.17 ATOM 428 C LEU196 −0.524 40.617 −13.969 1.00 78.46 ATOM 429 O LEU 196 −0.206 41.698−14.467 1.00 78.70 ATOM 430 CB LEU 196 0.015 40.713 −11.548 1.00 77.52ATOM 431 CG LEU 196 0.682 40.179 −10.285 1.00 77.15 ATOM 432 CD1 LEU 1960.482 41.140 −9.125 1.00 76.76 ATOM 433 CD2 LEU 196 0.132 38.806 −9.9611.00 77.20 ATOM 434 N LYS 197 −1.600 39.937 −14.347 1.00 78.62 ATOM 435CA LYS 197 −2.579 40.508 −15.265 1.00 86.92 ATOM 436 C LYS 197 −3.69741.188 −14.471 1.00 84.36 ATOM 437 O LYS 197 −3.750 41.064 −13.250 1.0078.30 ATOM 438 CB LYS 197 −3.149 39.426 −16.187 1.00 87.85 ATOM 439 CGLYS 197 −2.125 38.825 −17.140 1.00 97.73 ATOM 440 CD LYS 197 −1.04339.843 −17.481 1.00 0.65 ATOM 441 CE LYS 197 −0.395 39.561 −18.825 1.000.58 ATOM 442 NZ LYS 197 −1.184 40.154 −19.939 1.00 0.14 ATOM 443 N ARG198 −4.582 41.901 −15.165 1.00 79.02 ATOM 444 CA ARG 198 −5.703 42.597−14.523 1.00 88.62 ATOM 445 C ARG 198 −6.465 41.778 −13.475 1.00 90.64ATOM 446 O ARG 198 −6.648 42.239 −12.349 1.00 79.37 ATOM 447 CB ARG 198−6.685 43.120 −15.572 1.00 95.76 ATOM 448 CG ARG 198 −6.523 44.581−15.908 1.00 0.91 ATOM 449 CD ARG 198 −7.421 44.960 −17.070 1.00 0.94ATOM 450 NE ARG 198 −7.901 46.332 −16.953 1.00 0.52 ATOM 451 CZ ARG 198−9.089 46.662 −16.457 1.00 0.91 ATOM 452 NH1 ARG 198 −9.919 45.714−16.039 1.00 0.67 ATOM 453 NH2 ARG 198 −9.448 47.938 −16.381 1.00 0.24ATOM 454 N PRO 199 −6.933 40.572 −13.848 1.00 79.78 ATOM 455 CA PRO 199−7.649 39.730 −12.883 1.00 80.54 ATOM 456 C PRO 199 −6.782 39.325−11.684 1.00 83.44 ATOM 457 O PRO 199 −7.316 39.187 −10.584 1.00 79.98ATOM 458 CB PRO 199 −8.028 38.494 −13.717 1.00 81.05 ATOM 459 CG PRO 199−7.080 38.518 −14.878 1.00 84.72 ATOM 460 CD PRO 199 −6.956 39.969−15.192 1.00 83.17 ATOM 461 N ASP 200 −5.479 39.139 −11.899 1.00 78.96ATOM 462 CA ASP 200 −4.541 38.786 −10.831 1.00 78.42 ATOM 463 C ASP 200−4.407 39.908 −9.822 1.00 79.19 ATOM 464 O ASP 200 −4.465 39.688 −8.6111.00 77.91 ATOM 465 CB ASP 200 −3.155 38.515 −11.407 1.00 78.13 ATOM 466CG ASP 200 −3.103 37.261 −12.223 1.00 82.28 ATOM 467 OD1 ASP 200 −3.71636.265 −11.799 1.00 79.46 ATOM 468 OD2 ASP 200 −2.441 37.268 −13.2801.00 87.15 ATOM 469 N GLU 201 −4.191 41.111 −10.343 1.00 77.87 ATOM 470CA GLU 201 −4.068 42.309 −9.527 1.00 88.08 ATOM 471 C GLU 201 −5.34342.577 −8.731 1.00 82.38 ATOM 472 O GLU 201 −5.280 42.941 −7.557 1.0078.63 ATOM 473 CB GLU 201 −3.725 43.516 −10.397 1.00 78.07 ATOM 474 CGGLU 201 −3.905 44.822 −9.680 1.00 82.77 ATOM 475 CD GLU 201 −3.06645.919 −10.263 1.00 86.32 ATOM 476 OE1 GLU 201 −2.758 45.880 −11.4731.00 94.84 ATOM 477 OE2 GLU 201 −2.716 46.823 −9.491 1.00 79.42 ATOM 478N LYS 202 −6.497 42.401 −9.370 1.00 79.23 ATOM 479 CA LYS 202 −7.76942.529 −8.673 1.00 80.32 ATOM 480 C LYS 202 −7.821 41.552 −7.497 1.0080.40 ATOM 481 O LYS 202 −8.153 41.932 −6.374 1.00 80.99 ATOM 482 CB LYS202 −8.931 42.277 −9.630 1.00 81.23 ATOM 483 CG LYS 202 −10.249 42.104−8.921 1.00 82.74 ATOM 484 CD LYS 202 −11.374 41.804 −9.885 1.00 83.85ATOM 485 CE LYS 202 −12.645 41.477 −9.126 1.00 85.72 ATOM 486 NZ LYS 202−13.745 41.122 −10.052 1.00 0.18 ATOM 487 N TYR 203 −7.468 40.299 −7.7671.00 80.02 ATOM 488 CA TYR 203 −7.406 39.253 −6.751 1.00 80.20 ATOM 489C TYR 203 −6.462 39.590 −5.590 1.00 79.44 ATOM 490 O TYR 203 −6.80439.384 −4.429 1.00 79.97 ATOM 491 CB TYR 203 −6.983 37.931 −7.399 1.0080.10 ATOM 492 CG TYR 203 −6.890 36.768 −6.439 1.00 80.53 ATOM 493 CD1TYR 203 −7.977 35.925 −6.231 1.00 82.06 ATOM 494 CD2 TYR 203 −5.71736.512 −5.740 1.00 79.65 ATOM 495 CE1 TYR 203 −7.900 34.862 −5.356 1.0082.73 ATOM 496 CE2 TYR 203 −5.629 35.449 −4.858 1.00 80.16 ATOM 497 CZTYR 203 −6.724 34.626 −4.673 1.00 82.73 ATOM 498 OH TYR 203 −6.64433.570 −3.798 1.00 82.87 ATOM 499 N VAL 204 −5.276 40.101 −5.909 1.0078.40 ATOM 500 CA VAL 204 −4.255 40.392 −4.897 1.00 87.71 ATOM 501 C VAL204 −4.627 41.607 −4.013 1.00 78.27 ATOM 502 O VAL 204 −4.436 41.585−2.795 1.00 78.34 ATOM 503 CB VAL 204 −2.831 40.525 −5.553 1.00 76.92ATOM 504 CG1 VAL 204 −2.497 41.967 −5.901 1.00 76.96 ATOM 505 CG2 VAL204 −1.766 39.942 −4.663 1.00 76.41 ATOM 506 N THR 205 −5.180 42.647−4.639 1.00 78.84 ATOM 507 CA THR 205 −5.709 43.825 −3.945 1.00 79.87ATOM 508 C THR 205 −6.769 43.443 −2.913 1.00 81.00 ATOM 509 O THR 205−6.703 43.850 −1.752 1.00 81.54 ATOM 510 CB THR 205 −6.358 44.817 −4.9511.00 80.67 ATOM 511 OG1 THR 205 −5.397 45.218 −5.934 1.00 79.91 ATOM 512CG2 THR 205 −6.887 46.051 −4.241 1.00 82.14 ATOM 513 N GLU 206 −7.74642.657 −3.361 1.00 81.59 ATOM 514 CA GLU 206 −8.880 42.244 −2.539 1.0083.15 ATOM 515 C GLU 206 −8.497 41.283 −1.417 1.00 82.92 ATOM 516 O GLU206 −8.919 41.462 −0.280 1.00 84.05 ATOM 517 CB GLU 206 −9.965 41.628−3.420 1.00 84.07 ATOM 518 CG GLU 206 −10.610 42.636 −4.353 1.00 84.78ATOM 519 CD GLU 206 −11.558 42.005 −5.361 1.00 0.42 ATOM 520 OE1 GLU 206−11.678 40.758 −5.384 1.00 0.46 ATOM 521 OE2 GLU 206 −12.182 42.763−6.136 1.00 98.72 ATOM 522 N LYS 207 −7.699 40.269 −1.744 1.00 81.67ATOM 523 CA LYS 207 −7.228 39.284 −0.769 1.00 81.45 ATOM 524 C LYS 207−6.425 39.920 0.378 1.00 80.95 ATOM 525 O LYS 207 −6.573 39.531 1.5351.00 81.57 ATOM 526 CB LYS 207 −6.403 38.194 −1.471 1.00 82.62 ATOM 527CG LYS 207 −5.506 37.363 −0.558 1.00 0.81 ATOM 528 CD LYS 207 −6.28636.288 0.185 1.00 0.19 ATOM 529 CE LYS 207 −5.345 35.303 0.866 1.00 0.78ATOM 530 NZ LYS 207 −6.089 34.185 1.511 1.00 0.10 ATOM 531 N ALA 208−5.577 40.893 0.054 1.00 80.02 ATOM 532 CA ALA 208 −4.814 41.607 1.0721.00 79.80 ATOM 533 C ALA 208 −5.747 42.421 1.965 1.00 81.46 ATOM 534 OALA 208 −5.570 42.469 3.184 1.00 81.88 ATOM 535 CB ALA 208 −3.767 42.5080.420 1.00 78.93 ATOM 536 N TYR 209 −6.740 43.056 1.344 1.00 82.59 ATOM537 CA TYR 209 −7.751 43.825 2.067 1.00 84.67 ATOM 538 C TYR 209 −8.51642.947 3.062 1.00 85.92 ATOM 539 O TYR 209 −8.824 43.390 4.166 1.0087.37 ATOM 540 CB TYR 209 −8.716 44.510 1.090 1.00 85.82 ATOM 541 CG TYR209 −9.615 45.562 1.713 1.00 88.27 ATOM 542 CD1 TYR 209 −9.200 46.8831.815 1.00 88.83 ATOM 543 CD2 TYR 209 −10.885 45.235 2.184 1.00 90.41ATOM 544 CE1 TYR 209 −10.016 47.849 2.376 1.00 91.44 ATOM 545 CE2 TYR209 −11.711 46.194 2.745 1.00 93.05 ATOM 546 CZ TYR 209 −11.271 47.5022.838 1.00 94.48 ATOM 547 OH TYR 209 −12.080 48.472 3.394 1.00 96.54ATOM 548 N GLU 210 −8.805 41.705 2.677 1.00 85.61 ATOM 549 CA GLU 210−9.536 40.773 3.540 1.00 87.08 ATOM 550 C GLU 210 −8.646 40.101 4.5901.00 86.22 ATOM 551 O GLU 210 −9.142 39.463 5.520 1.00 87.58 ATOM 552 CBGLU 210 −10.225 39.692 2.704 1.00 87.52 ATOM 553 CG GLU 210 −11.16440.223 1.643 1.00 88.48 ATOM 554 CD GLU 210 −11.399 39.226 0.522 1.000.19 ATOM 555 OE1 GLU 210 −10.915 38.075 0.625 1.00 87.54 ATOM 556 OE2GLU 210 −12.070 39.599 −0.467 1.00 0.58 ATOM 557 N ASN 211 −7.332 40.2384.440 1.00 84.16 ATOM 558 CA ASN 211 −6.404 39.611 5.372 1.00 83.31 ATOM559 C ASN 211 −5.378 40.610 5.917 1.00 87.15 ATOM 560 O ASN 211 −4.17740.455 5.694 1.00 80.86 ATOM 561 CB ASN 211 −5.707 38.415 4.705 1.0089.00 ATOM 562 CG ASN 211 −4.924 37.566 5.692 1.00 0.16 ATOM 563 OD1 ASN211 −5.325 37.402 6.848 1.00 0.17 ATOM 564 ND2 ASN 211 −3.799 37.0185.236 1.00 99.78 ATOM 565 N PRO 212 −5.853 41.642 6.641 1.00 83.90 ATOM566 CA PRO 212 −4.944 42.647 7.205 1.00 83.57 ATOM 567 C PRO 212 −4.05842.036 8.296 1.00 82.85 ATOM 568 O PRO 212 −4.523 41.194 9.062 1.0083.56 ATOM 569 CB PRO 212 −5.901 43.685 7.817 1.00 85.91 ATOM 570 CG PRO212 −7.256 43.349 7.287 1.00 87.27 ATOM 571 CD PRO 212 −7.244 41.8827.051 1.00 86.29 ATOM 572 N LYS 213 −2.796 42.447 8.356 1.00 81.66 ATOM573 CA LYS 213 −1.879 41.932 9.368 1.00 81.02 ATOM 574 C LYS 213 −0.84742.956 9.811 1.00 80.90 ATOM 575 O LYS 213 −0.140 43.545 8.996 1.0080.25 ATOM 576 CB LYS 213 −1.174 40.659 8.888 1.00 79.48 ATOM 577 CG LYS213 −1.990 39.393 9.075 1.00 80.00 ATOM 578 CD LYS 213 −1.147 38.1338.942 1.00 80.38 ATOM 579 CE LYS 213 −2.048 36.915 8.819 1.00 79.77 ATOM580 NZ LYS 213 −1.310 35.630 8.798 1.00 79.21 ATOM 581 N PHE 214 −0.77743.159 11.117 1.00 81.78 ATOM 582 CA PHE 214 0.279 43.940 11.712 1.0081.81 ATOM 583 C PHE 214 1.610 43.197 11.578 1.00 80.07 ATOM 584 O PHE214 1.666 41.997 11.322 1.00 79.06 ATOM 585 CB PHE 214 −0.011 44.16813.199 1.00 83.28 ATOM 586 CG PHE 214 −1.127 45.146 13.477 1.00 85.59ATOM 587 CD1 PHE 214 −1.079 46.442 12.980 1.00 88.35 ATOM 588 CD2 PHE214 −2.205 44.780 14.265 1.00 87.15 ATOM 589 CE1 PHE 214 −2.096 47.34513.248 1.00 89.02 ATOM 590 CE2 PHE 214 −3.217 45.680 14.536 1.00 89.66ATOM 591 CZ PHE 214 −3.163 46.962 14.027 1.00 90.59 ATOM 592 N VAL 2152.690 43.924 11.777 1.00 50.17 ATOM 593 CA VAL 215 4.001 43.320 11.8761.00 41.74 ATOM 594 C VAL 215 4.075 42.335 13.059 1.00 47.63 ATOM 595 OVAL 215 4.762 41.314 12.985 1.00 45.88 ATOM 596 CB VAL 215 5.105 44.42011.916 1.00 50.90 ATOM 597 CG1 VAL 215 5.318 44.942 13.325 1.00 44.79ATOM 598 CG2 VAL 215 6.377 43.890 11.342 1.00 44.27 ATOM 599 N GLU 2163.350 42.626 14.133 1.00 38.86 ATOM 600 CA GLU 216 3.280 41.716 15.2671.00 45.56 ATOM 601 C GLU 216 2.645 40.375 14.884 1.00 44.87 ATOM 602 OGLU 216 3.128 39.318 15.290 1.00 42.87 ATOM 603 CB GLU 216 2.519 42.34716.431 1.00 49.41 ATOM 604 CG GLU 216 3.149 43.630 16.979 1.00 63.76ATOM 605 CD GLU 216 2.569 44.897 16.362 1.00 68.55 ATOM 606 OE1 GLU 2162.046 44.833 15.233 1.00 69.32 ATOM 607 OE2 GLU 216 2.638 45.966 17.0081.00 75.24 ATOM 608 N ASP 217 1.582 40.416 14.088 1.00 45.69 ATOM 609 CAASP 217 0.909 39.184 13.681 1.00 47.86 ATOM 610 C ASP 217 1.749 38.38812.716 1.00 53.47 ATOM 611 O ASP 217 1.778 37.164 12.780 1.00 61.34 ATOM612 CB ASP 217 −0.454 39.468 13.071 1.00 56.10 ATOM 613 CG ASP 217−1.341 40.215 14.015 1.00 74.86 ATOM 614 OD1 ASP 217 −1.385 39.80315.200 1.00 74.32 ATOM 615 OD2 ASP 217 −1.963 41.218 13.578 1.00 80.99ATOM 616 N MSE 218 2.447 39.088 11.828 1.00 48.18 ATOM 617 CA MSE 2183.335 38.430 10.876 1.00 48.13 ATOM 618 C MSE 218 4.367 37.519 11.5721.00 44.35 ATOM 619 O MSE 218 4.451 36.316 11.295 1.00 44.73 ATOM 620 CBMSE 218 4.043 39.482 10.013 1.00 67.17 ATOM 621 CG MSE 218 4.792 38.9208.792 1.00 78.71 ATOM 622 SE MSE 218 3.762 37.588 7.728 1.00 0.04 ATOM623 CE MSE 218 4.841 37.553 6.111 1.00 0.62 ATOM 624 N VAL 219 5.15338.090 12.479 1.00 38.53 ATOM 625 CA VAL 219 6.170 37.311 13.154 1.0034.39 ATOM 626 C VAL 219 5.567 36.223 14.048 1.00 37.70 ATOM 627 O VAL219 6.082 35.110 14.104 1.00 41.68 ATOM 628 CB VAL 219 7.162 38.18613.952 1.00 44.91 ATOM 629 CG1 VAL 219 7.886 39.169 13.008 1.00 51.70ATOM 630 CG2 VAL 219 6.458 38.927 15.067 1.00 34.05 ATOM 631 N ARG 2204.485 36.532 14.750 1.00 38.89 ATOM 632 CA ARG 220 3.850 35.506 15.5781.00 45.03 ATOM 633 C ARG 220 3.434 34.298 14.742 1.00 49.38 ATOM 634 OARG 220 3.726 33.158 15.099 1.00 54.21 ATOM 635 CB ARG 220 2.675 36.06616.369 1.00 44.05 ATOM 636 CG ARG 220 3.115 36.735 17.641 1.00 46.49ATOM 637 CD ARG 220 2.038 37.571 18.249 1.00 46.91 ATOM 638 NE ARG 2202.410 37.910 19.605 1.00 48.02 ATOM 639 CZ ARG 220 1.898 38.925 20.2791.00 55.99 ATOM 640 NH1 ARG 220 0.979 39.703 19.716 1.00 44.26 ATOM 641NH2 ARG 220 2.305 39.152 21.519 1.00 53.88 ATOM 642 N ASP 221 2.79534.555 13.607 1.00 43.66 ATOM 643 CA ASP 221 2.279 33.478 12.760 1.0041.62 ATOM 644 C ASP 221 3.400 32.639 12.130 1.00 50.60 ATOM 645 O ASP221 3.305 31.413 12.090 1.00 44.79 ATOM 646 CB ASP 221 1.350 34.03911.691 1.00 46.23 ATOM 647 CG ASP 221 0.080 34.656 12.287 1.00 78.89ATOM 648 OD1 ASP 221 −0.171 34.471 13.503 1.00 87.03 ATOM 649 OD2 ASP221 −0.667 35.328 11.545 1.00 63.65 ATOM 650 N VAL 222 4.471 33.28911.658 1.00 40.55 ATOM 651 CA VAL 222 5.611 32.547 11.110 1.00 39.97ATOM 652 C VAL 222 6.353 31.754 12.189 1.00 40.25 ATOM 653 O VAL 2226.749 30.618 11.969 1.00 43.37 ATOM 654 CB VAL 222 6.641 33.466 10.4241.00 40.52 ATOM 655 CG1 VAL 222 7.854 32.663 10.029 1.00 40.76 ATOM 656CG2 VAL 222 6.044 34.136 9.216 1.00 39.98 ATOM 657 N ALA 223 6.55832.365 13.350 1.00 42.74 ATOM 658 CA ALA 223 7.248 31.712 14.462 1.0038.34 ATOM 659 C ALA 223 6.516 30.454 14.951 1.00 48.36 ATOM 660 O ALA223 7.137 29.450 15.296 1.00 53.21 ATOM 661 CB ALA 223 7.427 32.68015.606 1.00 45.59 ATOM 662 N THR 224 5.193 30.509 14.972 1.00 44.31 ATOM663 CA THR 224 4.393 29.338 15.339 1.00 43.02 ATOM 664 C THR 224 4.67728.152 14.414 1.00 45.58 ATOM 665 O THR 224 4.851 27.031 14.871 1.0049.95 ATOM 666 CB THR 224 2.905 29.682 15.329 1.00 42.71 ATOM 667 OG1THR 224 2.659 30.725 16.279 1.00 53.74 ATOM 668 CG2 THR 224 2.085 28.47815.691 1.00 50.78 ATOM 669 N SER 225 4.746 28.420 13.115 1.00 41.80 ATOM670 CA SER 225 5.075 27.389 12.142 1.00 51.93 ATOM 671 C SER 225 6.48126.839 12.386 1.00 52.55 ATOM 672 O SER 225 6.711 25.633 12.275 1.0052.97 ATOM 673 CB SER 225 4.988 27.922 10.707 1.00 50.08 ATOM 674 OG SER225 3.762 28.589 10.467 1.00 64.07 ATOM 675 N LEU 226 7.430 27.71512.708 1.00 43.70 ATOM 676 CA LEU 226 8.819 27.270 12.875 1.00 41.18ATOM 677 C LEU 226 9.005 26.498 14.182 1.00 49.52 ATOM 678 O LEU 2269.774 25.549 14.249 1.00 48.99 ATOM 679 CB LEU 226 9.817 28.440 12.8121.00 35.26 ATOM 680 CG LEU 226 9.817 29.332 11.577 1.00 41.80 ATOM 681CD1 LEU 226 10.725 30.527 11.814 1.00 43.92 ATOM 682 CD2 LEU 226 10.22528.566 10.330 1.00 38.82 ATOM 683 N ILE 227 8.308 26.932 15.221 1.0044.77 ATOM 684 CA ILE 227 8.303 26.231 16.499 1.00 46.88 ATOM 685 C ILE227 7.765 24.810 16.353 1.00 51.88 ATOM 686 O ILE 227 8.255 23.89317.004 1.00 54.76 ATOM 687 CB ILE 227 7.422 26.966 17.508 1.00 52.15ATOM 688 CG1 ILE 227 8.152 28.188 18.052 1.00 53.45 ATOM 689 CG2 ILE 2277.072 26.084 18.664 1.00 38.00 ATOM 690 CD1 ILE 227 7.233 29.100 18.8181.00 47.15 ATOM 691 N ALA 228 6.764 24.635 15.496 1.00 47.59 ATOM 692 CAALA 228 6.186 23.315 15.236 1.00 54.10 ATOM 693 C ALA 228 7.189 22.37014.557 1.00 63.76 ATOM 694 O ALA 228 7.263 21.200 14.912 1.00 56.69 ATOM695 CB ALA 228 4.914 23.441 14.405 1.00 50.72 ATOM 696 N ASP 229 7.97322.882 13.605 1.00 57.62 ATOM 697 CA ASP 229 8.941 22.062 12.867 1.0050.20 ATOM 698 C ASP 229 10.052 21.540 13.783 1.00 53.28 ATOM 699 O ASP229 10.788 22.315 14.380 1.00 55.26 ATOM 700 CB ASP 229 9.523 22.85711.694 1.00 62.28 ATOM 701 CG ASP 229 10.189 21.974 10.660 1.00 69.82ATOM 702 OD1 ASP 229 11.076 21.183 11.048 1.00 51.12 ATOM 703 OD2 ASP229 9.837 22.081 9.460 1.00 58.63 ATOM 704 N LYS 230 10.175 20.22213.888 1.00 58.48 ATOM 705 CA LYS 230 11.084 19.605 14.857 1.00 53.49ATOM 706 C LYS 230 12.558 19.649 14.425 1.00 56.06 ATOM 707 O LYS 23013.456 19.411 15.234 1.00 48.87 ATOM 708 CB LYS 230 10.668 18.153 15.1411.00 68.41 ATOM 709 CG LYS 230 9.187 17.952 15.488 1.00 89.06 ATOM 710CD LYS 230 8.784 18.696 16.761 1.00 95.42 ATOM 711 CE LYS 230 7.36618.329 17.220 1.00 92.94 ATOM 712 NZ LYS 230 6.250 18.989 16.461 1.0071.70 ATOM 713 N ASN 241 8.276 46.463 8.105 1.00 42.17 ATOM 714 CA ASN241 7.235 47.043 7.269 1.00 43.83 ATOM 715 C ASN 241 7.582 48.432 6.8081.00 51.54 ATOM 716 O ASN 241 7.578 49.346 7.620 1.00 52.46 ATOM 717 CBASN 241 5.955 47.182 8.075 1.00 60.29 ATOM 718 CG ASN 241 4.965 46.0977.784 1.00 76.81 ATOM 719 OD1 ASN 241 3.765 46.346 7.766 1.00 80.52 ATOM720 ND2 ASN 241 5.451 44.883 7.553 1.00 79.98 ATOM 721 N PHE 242 7.84548.615 5.517 1.00 50.46 ATOM 722 CA PHE 242 8.149 49.962 5.009 1.0066.54 ATOM 723 C PHE 242 6.862 50.760 4.825 1.00 56.00 ATOM 724 O PHE242 6.502 51.144 3.714 1.00 54.94 ATOM 725 CB PHE 242 8.972 49.901 3.7191.00 55.87 ATOM 726 CG PHE 242 10.225 49.076 3.851 1.00 58.67 ATOM 727CD1 PHE 242 11.398 49.654 4.299 1.00 54.65 ATOM 728 CD2 PHE 242 10.21847.717 3.547 1.00 54.51 ATOM 729 CE1 PHE 242 12.546 48.899 4.432 1.0056.56 ATOM 730 CE2 PHE 242 11.360 46.955 3.670 1.00 56.59 ATOM 731 CZPHE 242 12.526 47.542 4.116 1.00 56.20 ATOM 732 N GLU 243 6.186 50.9955.946 1.00 52.01 ATOM 733 CA GLU 243 4.849 51.565 5.946 1.00 59.99 ATOM734 C GLU 243 4.747 52.767 5.025 1.00 64.49 ATOM 735 O GLU 243 5.62053.648 5.016 1.00 57.32 ATOM 736 CB GLU 243 4.390 51.905 7.366 1.0067.73 ATOM 737 CG GLU 243 5.399 52.658 8.197 1.00 99.15 ATOM 738 CD GLU243 4.861 52.972 9.575 1.00 0.05 ATOM 739 OE1 GLU 243 5.665 53.30210.472 1.00 0.86 ATOM 740 OE2 GLU 243 3.627 52.882 9.758 1.00 0.90 ATOM741 N SER 244 3.672 52.779 4.243 1.00 53.45 ATOM 742 CA SER 244 3.52353.732 3.154 1.00 53.27 ATOM 743 C SER 244 3.021 55.097 3.625 1.00 55.37ATOM 744 O SER 244 2.754 55.969 2.800 1.00 62.63 ATOM 745 CB SER 2442.589 53.174 2.074 1.00 58.33 ATOM 746 OG SER 244 1.267 53.101 2.5641.00 72.38 ATOM 747 N ILE 245 2.887 55.278 4.936 1.00 45.75 ATOM 748 CAILE 245 2.430 56.553 5.482 1.00 59.96 ATOM 749 C ILE 245 3.505 57.2556.314 1.00 53.42 ATOM 750 O ILE 245 3.319 58.398 6.741 1.00 58.48 ATOM751 CB ILE 245 1.131 56.400 6.323 1.00 61.54 ATOM 752 CG1 ILE 245 1.39555.530 7.550 1.00 63.07 ATOM 753 CG2 ILE 245 −0.003 55.821 5.479 1.0053.03 ATOM 754 CD1 ILE 245 0.187 55.356 8.429 1.00 78.07 ATOM 755 N HIS246 4.619 56.564 6.557 1.00 50.73 ATOM 756 CA HIS 246 5.736 57.142 7.2991.00 53.43 ATOM 757 C HIS 246 7.027 57.010 6.499 1.00 64.72 ATOM 758 OHIS 246 7.071 56.289 5.509 1.00 62.83 ATOM 759 CB HIS 246 5.905 56.4488.646 1.00 49.66 ATOM 760 CG HIS 246 4.773 56.673 9.600 1.00 65.04 ATOM761 ND1 HIS 246 4.062 55.635 10.162 1.00 65.95 ATOM 762 CD2 HIS 2464.238 57.812 10.101 1.00 64.99 ATOM 763 CE1 HIS 246 3.137 56.124 10.9691.00 77.08 ATOM 764 NE2 HIS 246 3.219 57.443 10.948 1.00 73.91 ATOM 765N ASN 247 8.085 57.698 6.923 1.00 56.86 ATOM 766 CA ASN 247 9.385 57.4716.291 1.00 52.91 ATOM 767 C ASN 247 10.353 56.631 7.152 1.00 50.50 ATOM768 O ASN 247 11.566 56.789 7.087 1.00 66.31 ATOM 769 CB ASN 247 10.03558.774 5.808 1.00 55.98 ATOM 770 CG ASN 247 11.118 58.521 4.744 1.0059.98 ATOM 771 OD1 ASN 247 10.980 57.614 3.910 1.00 49.10 ATOM 772 ND2ASN 247 12.199 59.309 4.779 1.00 48.52 ATOM 773 N ASN 15 0.218 32.08622.240 1.00 0.61 ATOM 774 CA ASN 15 0.186 33.528 22.018 1.00 0.98 ATOM775 C ASN 15 1.535 34.235 21.874 1.00 0.70 ATOM 776 O ASN 15 1.56835.421 21.554 1.00 0.18 ATOM 777 CB ASN 15 −0.630 34.213 23.111 1.000.60 ATOM 778 CG ASN 15 −1.982 34.679 22.621 1.00 0.45 ATOM 779 OD1 ASN15 −2.111 35.186 21.513 1.00 0.18 ATOM 780 ND2 ASN 15 −2.995 34.52623.454 1.00 0.78 ATOM 781 N LEU 16 2.627 33.518 22.133 1.00 94.87 ATOM782 CA LEU 16 4.002 34.005 21.882 1.00 68.59 ATOM 783 C LEU 16 4.30435.483 22.181 1.00 62.20 ATOM 784 O LEU 16 3.765 36.386 21.537 1.0047.59 ATOM 785 CB LEU 16 4.440 33.654 20.458 1.00 58.51 ATOM 786 CG LEU16 5.071 32.271 20.284 1.00 71.98 ATOM 787 CD1 LEU 16 4.166 31.19320.815 1.00 95.09 ATOM 788 CD2 LEU 16 5.387 32.009 18.826 1.00 66.90ATOM 789 N PRO 17 5.172 35.727 23.174 1.00 59.11 ATOM 790 CA PRO 175.692 37.076 23.383 1.00 56.32 ATOM 791 C PRO 17 6.546 37.470 22.1721.00 53.83 ATOM 792 O PRO 17 7.090 36.599 21.490 1.00 55.40 ATOM 793 CBPRO 17 6.593 36.929 24.615 1.00 49.67 ATOM 794 CG PRO 17 6.313 35.60125.173 1.00 57.25 ATOM 795 CD PRO 17 5.780 34.751 24.087 1.00 51.52 ATOM796 N ILE 18 6.635 38.764 21.898 1.00 44.93 ATOM 797 CA ILE 18 7.57239.262 20.914 1.00 40.29 ATOM 798 C ILE 18 8.729 39.970 21.625 1.0042.04 ATOM 799 O ILE 18 8.521 40.914 22.379 1.00 43.41 ATOM 800 CB ILE18 6.889 40.190 19.902 1.00 38.13 ATOM 801 CG1 ILE 18 5.875 39.41419.075 1.00 45.13 ATOM 802 CG2 ILE 18 7.929 40.830 18.976 1.00 48.42ATOM 803 CD1 ILE 18 4.852 40.278 18.363 1.00 47.95 ATOM 804 N TYR 509.472 45.033 24.568 1.00 48.54 ATOM 805 CA TYR 50 8.939 43.690 24.7201.00 42.54 ATOM 806 C TYR 50 7.415 43.706 24.665 1.00 38.18 ATOM 807 OTYR 50 6.765 44.559 25.274 1.00 59.47 ATOM 808 CB TYR 50 9.421 43.12526.063 1.00 48.65 ATOM 809 CG TYR 50 8.877 41.770 26.439 1.00 46.41 ATOM810 CD1 TYR 50 9.495 40.601 26.002 1.00 48.12 ATOM 811 CD2 TYR 50 7.78041.656 27.288 1.00 45.63 ATOM 812 CE1 TYR 50 9.005 39.351 26.369 1.0049.82 ATOM 813 CE2 TYR 50 7.282 40.418 27.658 1.00 64.78 ATOM 814 CZ TYR50 7.891 39.267 27.200 1.00 66.95 ATOM 815 OH TYR 50 7.378 38.038 27.5761.00 63.72 ATOM 816 N LEU 51 6.845 42.762 23.925 1.00 41.19 ATOM 817 CALEU 51 5.392 42.650 23.852 1.00 45.35 ATOM 818 C LEU 51 4.944 41.32724.477 1.00 59.79 ATOM 819 O LEU 51 5.234 40.259 23.953 1.00 57.86 ATOM820 CB LEU 51 4.903 42.786 22.407 1.00 41.63 ATOM 821 CG LEU 51 3.39042.955 22.268 1.00 57.45 ATOM 822 CD1 LEU 51 3.024 44.309 22.804 1.0053.37 ATOM 823 CD2 LEU 51 2.896 42.786 20.817 1.00 46.74 ATOM 824 N PRO52 4.252 41.404 25.620 1.00 50.41 ATOM 825 CA PRO 52 3.698 40.238 26.3271.00 60.78 ATOM 826 C PRO 52 2.845 39.355 25.412 1.00 55.59 ATOM 827 OPRO 52 2.252 39.850 24.464 1.00 45.38 ATOM 828 CB PRO 52 2.799 40.87327.398 1.00 51.53 ATOM 829 CG PRO 52 3.307 42.272 27.560 1.00 54.38 ATOM830 CD PRO 52 3.795 42.675 26.204 1.00 47.05 ATOM 831 N ALA 53 2.78738.061 25.706 1.00 65.72 ATOM 832 CA ALA 53 2.046 37.103 24.882 1.0066.94 ATOM 833 C ALA 53 0.629 37.544 24.490 1.00 71.17 ATOM 834 O ALA 530.223 37.378 23.341 1.00 71.46 ATOM 835 CB ALA 53 1.998 35.748 25.5641.00 66.90 ATOM 836 N GLU 54 −0.130 38.108 25.424 1.00 75.20 ATOM 837 CAGLU 54 −1.535 38.373 25.120 1.00 0.50 ATOM 838 C GLU 54 −1.871 39.83424.827 1.00 90.42 ATOM 839 O GLU 54 −3.039 40.201 24.744 1.00 95.12 ATOM840 CB GLU 54 −2.466 37.767 26.176 1.00 0.71 ATOM 841 CG GLU 54 −2.72238.621 27.397 1.00 0.20 ATOM 842 CD GLU 54 −3.621 37.920 28.398 1.000.17 ATOM 843 OE1 GLU 54 −3.217 36.856 28.908 1.00 0.84 ATOM 844 OE2 GLU54 −4.728 38.427 28.672 1.00 0.50 ATOM 845 N GLN 55 −0.845 40.659 24.6561.00 78.83 ATOM 846 CA GLN 55 −1.035 41.995 24.104 1.00 68.58 ATOM 847 CGLN 55 −0.918 41.857 22.589 1.00 58.44 ATOM 848 O GLN 55 0.009 41.22122.092 1.00 65.77 ATOM 849 CB GLN 55 0.011 42.970 24.658 1.00 58.13 ATOM850 CG GLN 55 −0.321 44.447 24.474 1.00 67.08 ATOM 851 CD GLN 55 0.67245.362 25.189 1.00 79.71 ATOM 852 OE1 GLN 55 1.214 45.006 26.235 1.0088.70 ATOM 853 NE2 GLN 55 0.912 46.547 24.625 1.00 63.58 ATOM 854 N LYS56 −1.859 42.436 21.852 1.00 61.67 ATOM 855 CA LYS 56 −1.921 42.23020.410 1.00 65.88 ATOM 856 C LYS 56 −0.919 43.095 19.648 1.00 73.54 ATOM857 O LYS 56 −0.438 42.707 18.578 1.00 73.26 ATOM 858 CB LYS 56 −3.32642.503 19.872 1.00 88.06 ATOM 859 CG LYS 56 −3.413 42.433 18.349 1.000.53 ATOM 860 CD LYS 56 −4.837 42.642 17.847 1.00 0.29 ATOM 861 CE LYS56 −5.261 44.101 17.948 1.00 0.17 ATOM 862 NZ LYS 56 −6.636 44.31817.419 1.00 0.56 ATOM 863 N GLY 57 −0.613 44.266 20.205 1.00 63.39 ATOM864 CA GLY 57 0.166 45.280 19.520 1.00 60.23 ATOM 865 C GLY 57 0.77546.299 20.465 1.00 67.31 ATOM 866 O GLY 57 0.404 46.397 21.628 1.0065.95 ATOM 867 N THR 58 1.747 47.048 19.964 1.00 71.54 ATOM 868 CA THR58 2.338 48.127 20.736 1.00 72.16 ATOM 869 C THR 58 1.743 49.429 20.2161.00 61.69 ATOM 870 O THR 58 0.837 49.406 19.387 1.00 61.90 ATOM 871 CBTHR 58 3.879 48.132 20.619 1.00 69.56 ATOM 872 OG1 THR 58 4.439 48.97921.629 1.00 79.35 ATOM 873 CG2 THR 58 4.316 48.611 19.244 1.00 68.68ATOM 874 N HIS 59 2.246 50.562 20.695 1.00 71.58 ATOM 875 CA HIS 591.724 51.852 20.259 1.00 69.19 ATOM 876 C HIS 59 2.798 52.593 19.4871.00 62.91 ATOM 877 O HIS 59 3.641 53.268 20.075 1.00 74.03 ATOM 878 CBHIS 59 1.246 52.655 21.466 1.00 67.89 ATOM 879 CG HIS 59 0.355 51.87722.386 1.00 73.78 ATOM 880 ND1 HIS 59 0.848 51.082 23.406 1.00 79.21ATOM 881 CD2 HIS 59 −0.988 51.758 22.440 1.00 74.77 ATOM 882 CE1 HIS 59−0.155 50.522 24.049 1.00 81.43 ATOM 883 NE2 HIS 59 −1.283 50.913 23.4821.00 82.11 ATOM 884 N MSE 60 2.754 52.467 18.164 1.00 69.20 ATOM 885 CAMSE 60 3.889 52.836 17.308 1.00 64.49 ATOM 886 C MSE 60 4.271 54.31417.333 1.00 57.44 ATOM 887 O MSE 60 5.453 54.663 17.259 1.00 55.33 ATOM888 CB MSE 60 3.626 52.396 15.866 1.00 68.93 ATOM 889 CG MSE 60 3.64550.886 15.670 1.00 88.07 ATOM 890 SE MSE 60 5.452 50.082 15.726 1.0090.92 ATOM 891 CE MSE 60 4.956 48.218 15.352 1.00 91.55 ATOM 892 N SER61 3.265 55.177 17.436 1.00 49.65 ATOM 893 CA SER 61 3.490 56.624 17.3841.00 52.54 ATOM 894 C SER 61 4.202 57.193 18.627 1.00 57.67 ATOM 895 OSER 61 4.824 58.251 18.555 1.00 63.02 ATOM 896 CB SER 61 2.158 57.36017.127 1.00 60.89 ATOM 897 OG SER 61 1.418 57.470 18.313 1.00 63.53 ATOM898 N ARG 62 4.112 56.495 19.757 1.00 58.58 ATOM 899 CA ARG 62 4.80456.928 20.970 1.00 54.99 ATOM 900 C ARG 62 6.330 56.959 20.816 1.0047.98 ATOM 901 O ARG 62 6.992 57.829 21.385 1.00 58.75 ATOM 902 CB ARG62 4.407 56.069 22.169 1.00 48.24 ATOM 903 CG ARG 62 2.980 56.278 22.5841.00 54.45 ATOM 904 CD ARG 62 2.567 55.281 23.663 1.00 53.24 ATOM 905 NEARG 62 1.122 55.256 23.836 1.00 68.95 ATOM 906 CZ ARG 62 0.492 54.61224.808 1.00 67.76 ATOM 907 NH1 ARG 62 1.186 53.948 25.719 1.00 58.36ATOM 908 NH2 ARG 62 −0.838 54.642 24.869 1.00 72.93 ATOM 909 N PHE 636.879 56.017 20.049 1.00 45.59 ATOM 910 CA PHE 63 8.317 55.990 19.8001.00 51.33 ATOM 911 C PHE 63 8.788 57.305 19.200 1.00 57.30 ATOM 912 OPHE 63 9.781 57.895 19.641 1.00 55.44 ATOM 913 CB PHE 63 8.688 54.84018.866 1.00 49.40 ATOM 914 CG PHE 63 8.439 53.498 19.449 1.00 44.13 ATOM915 CD1 PHE 63 9.233 53.021 20.474 1.00 41.09 ATOM 916 CD2 PHE 63 7.39452.718 18.995 1.00 50.77 ATOM 917 CE1 PHE 63 9.008 51.782 21.018 1.0039.25 ATOM 918 CE2 PHE 63 7.161 51.471 19.543 1.00 57.73 ATOM 919 CZ PHE63 7.977 50.996 20.546 1.00 41.41 ATOM 920 N VAL 64 8.065 57.751 18.1801.00 47.97 ATOM 921 CA VAL 64 8.375 59.013 17.524 1.00 55.02 ATOM 922 CVAL 64 8.125 60.197 18.472 1.00 53.37 ATOM 923 O VAL 64 9.000 61.04718.648 1.00 45.07 ATOM 924 CB VAL 64 7.537 59.188 16.238 1.00 69.71 ATOM925 CG1 VAL 64 7.874 60.505 15.564 1.00 71.34 ATOM 926 CG2 VAL 64 7.77058.025 15.293 1.00 71.51 ATOM 927 N ALA 65 6.935 60.248 19.081 1.0043.65 ATOM 928 CA ALA 65 6.603 61.331 20.017 1.00 45.85 ATOM 929 C ALA65 7.693 61.470 21.074 1.00 55.77 ATOM 930 O ALA 65 8.040 62.575 21.4801.00 62.71 ATOM 931 CB ALA 65 5.251 61.081 20.673 1.00 51.78 ATOM 932 NALA 88 8.534 53.005 30.061 1.00 37.50 ATOM 933 CA ALA 88 7.456 53.49430.916 1.00 51.61 ATOM 934 C ALA 88 6.339 54.012 30.058 1.00 56.02 ATOM935 O ALA 88 5.185 53.700 30.295 1.00 63.47 ATOM 936 CB ALA 88 7.94354.591 31.853 1.00 50.46 ATOM 937 N LEU 89 6.697 54.794 29.047 1.0057.64 ATOM 938 CA LEU 89 5.730 55.400 28.124 1.00 59.78 ATOM 939 C LEU89 4.942 54.357 27.315 1.00 53.97 ATOM 940 O LEU 89 3.743 54.487 27.1191.00 56.91 ATOM 941 CB LEU 89 6.451 56.368 27.181 1.00 57.63 ATOM 942 CGLEU 89 5.628 57.042 26.094 1.00 56.32 ATOM 943 CD1 LEU 89 4.718 58.08426.716 1.00 42.44 ATOM 944 CD2 LEU 89 6.536 57.676 25.055 1.00 61.18ATOM 945 N LEU 90 5.612 53.321 26.837 1.00 54.16 ATOM 946 CA LEU 904.924 52.266 26.111 1.00 63.18 ATOM 947 C LEU 90 4.361 51.189 27.0321.00 67.68 ATOM 948 O LEU 90 3.870 50.160 26.575 1.00 65.17 ATOM 949 CBLEU 90 5.844 51.657 25.065 1.00 54.20 ATOM 950 CG LEU 90 5.801 52.54023.824 1.00 61.73 ATOM 951 CD1 LEU 90 7.055 53.389 23.699 1.00 41.72ATOM 952 CD2 LEU 90 5.595 51.690 22.601 1.00 75.98 ATOM 953 N ASP 914.432 51.443 28.332 1.00 62.55 ATOM 954 CA ASP 91 3.870 50.543 29.3291.00 74.29 ATOM 955 C ASP 91 4.407 49.124 29.159 1.00 64.93 ATOM 956 OASP 91 3.634 48.184 29.035 1.00 56.16 ATOM 957 CB ASP 91 2.333 50.53929.242 1.00 84.05 ATOM 958 CG ASP 91 1.698 51.810 29.813 1.00 0.91 ATOM959 OD1 ASP 91 2.435 52.672 30.332 1.00 0.11 ATOM 960 OD2 ASP 91 0.45651.944 29.753 1.00 98.46 ATOM 961 N SER 92 5.730 48.970 29.156 1.0057.68 ATOM 962 CA SER 92 6.349 47.662 28.929 1.00 40.55 ATOM 963 C SER92 7.432 47.291 29.952 1.00 52.93 ATOM 964 O SER 92 7.981 48.149 30.6361.00 58.12 ATOM 965 CB SER 92 6.909 47.602 27.509 1.00 47.88 ATOM 966 OGSER 92 7.480 46.339 27.226 1.00 53.37 ATOM 967 N ARG 93 7.744 46.00130.016 1.00 53.73 ATOM 968 CA ARG 93 8.714 45.427 30.946 1.00 47.19 ATOM969 C ARG 93 10.185 45.602 30.507 1.00 61.56 ATOM 970 O ARG 93 11.11045.546 31.327 1.00 57.47 ATOM 971 CB ARG 93 8.417 43.934 31.073 1.0057.38 ATOM 972 CG ARG 93 9.157 43.215 32.169 1.00 80.07 ATOM 973 CD ARG93 8.893 41.714 32.098 1.00 91.35 ATOM 974 NE ARG 93 9.315 41.137 30.8221.00 84.96 ATOM 975 CZ ARG 93 10.584 40.930 30.474 1.00 95.02 ATOM 976NH1 ARG 93 11.571 41.262 31.296 1.00 95.51 ATOM 977 NH2 ARG 93 10.87240.398 29.297 1.00 81.77 ATOM 978 ZN ZN2 258 −1.421 51.727 9.888 1.0071.07 ATOM 979 N LYS 107 7.039 69.054 9.816 1.00 54.02 ATOM 980 CA LYS107 5.719 68.932 9.197 1.00 55.18 ATOM 981 C LYS 107 4.623 68.864 10.2381.00 64.44 ATOM 982 O LYS 107 4.890 68.582 11.408 1.00 67.36 ATOM 983 CBLYS 107 5.645 67.700 8.293 1.00 59.17 ATOM 984 CG LYS 107 6.076 68.0026.871 1.00 78.01 ATOM 985 CD LYS 107 7.044 66.968 6.340 1.00 42.27 ATOM986 CE LYS 107 6.290 65.821 5.703 1.00 76.76 ATOM 987 NZ LYS 107 5.41066.284 4.585 1.00 63.95 ATOM 988 N THR 108 3.391 69.116 9.794 1.00 52.40ATOM 989 CA THR 108 2.216 69.084 10.661 1.00 54.45 ATOM 990 C THR 1081.188 68.042 10.194 1.00 68.79 ATOM 991 O THR 108 0.785 68.040 9.0301.00 66.08 ATOM 992 CB THR 108 1.551 70.473 10.712 1.00 69.12 ATOM 993OG1 THR 108 2.462 71.416 11.294 1.00 81.63 ATOM 994 CG2 THR 108 0.25470.440 11.508 1.00 60.33 ATOM 995 N ALA 109 0.768 67.162 11.103 1.0059.63 ATOM 996 CA ALA 109 −0.208 66.133 10.780 1.00 55.61 ATOM 997 C ALA109 −1.539 66.770 10.335 1.00 71.15 ATOM 998 O ALA 109 −1.987 67.76110.911 1.00 77.38 ATOM 999 CB ALA 109 −0.414 65.207 11.970 1.00 64.89ATOM 1000 N PRO 110 −2.167 66.203 9.292 1.00 77.07 ATOM 1001 CA PRO 110−3.301 66.840 8.607 1.00 60.99 ATOM 1002 C PRO 110 −4.581 67.037 9.4281.00 75.83 ATOM 1003 O PRO 110 −5.376 67.905 9.075 1.00 0.83 ATOM 1004CB PRO 110 −3.554 65.893 7.428 1.00 69.05 ATOM 1005 CG PRO 110 −2.92064.597 7.844 1.00 73.14 ATOM 1006 CD PRO 110 −1.683 65.032 8.540 1.0070.35 ATOM 1007 N VAL 111 −4.796 66.245 10.475 1.00 76.98 ATOM 1008 CAVAL 111 −5.969 66.424 11.326 1.00 75.05 ATOM 1009 C VAL 111 −5.61766.884 12.751 1.00 83.25 ATOM 1010 O VAL 111 −6.118 67.905 13.221 1.0084.58 ATOM 1011 CB VAL 111 −6.859 65.145 11.386 1.00 80.99 ATOM 1012 CG1VAL 111 −7.935 65.277 12.477 1.00 89.81 ATOM 1013 CG2 VAL 111 −7.50864.882 10.036 1.00 90.98 ATOM 1014 N SER 112 −4.763 66.127 13.431 1.0087.92 ATOM 1015 CA SER 112 −4.384 66.425 14.813 1.00 84.89 ATOM 1016 CSER 112 −3.470 67.654 14.961 1.00 80.23 ATOM 1017 O SER 112 −3.41768.265 16.035 1.00 72.07 ATOM 1018 CB SER 112 −3.710 65.205 15.455 1.0064.52 ATOM 1019 OG SER 112 −2.361 65.077 15.020 1.00 67.63 ATOM 1020 NGLY 113 −2.740 67.998 13.896 1.00 65.30 ATOM 1021 CA GLY 113 −1.81569.115 13.934 1.00 57.14 ATOM 1022 C GLY 113 −0.484 68.803 14.595 1.0071.26 ATOM 1023 O GLY 113 0.410 69.660 14.638 1.00 69.71 ATOM 1024 N ILE114 −0.330 67.581 15.103 1.00 73.22 ATOM 1025 CA ILE 114 0.934 67.18315.738 1.00 69.42 ATOM 1026 C ILE 114 2.125 67.271 14.779 1.00 68.09ATOM 1027 O ILE 114 2.077 66.782 13.650 1.00 76.48 ATOM 1028 CB ILE 1140.869 65.774 16.368 1.00 73.91 ATOM 1029 CG1 ILE 114 −0.334 65.66317.303 1.00 89.92 ATOM 1030 CG2 ILE 114 2.138 65.493 17.152 1.00 63.39ATOM 1031 CD1 ILE 114 −0.366 64.373 18.089 1.00 0.56 ATOM 1032 N ARG 1153.193 67.902 15.248 1.00 61.46 ATOM 1033 CA ARG 115 4.354 68.174 14.4151.00 70.33 ATOM 1034 C ARG 115 5.449 67.111 14.551 1.00 64.45 ATOM 1035O ARG 115 5.670 66.544 15.625 1.00 63.87 ATOM 1036 CB ARG 115 4.90369.575 14.718 1.00 74.16 ATOM 1037 CG ARG 115 3.876 70.684 14.512 1.0097.70 ATOM 1038 CD ARG 115 4.378 72.008 15.043 1.00 0.22 ATOM 1039 NEARG 115 5.317 72.653 14.130 1.00 0.87 ATOM 1040 CZ ARG 115 6.084 73.68614.460 1.00 0.60 ATOM 1041 NH1 ARG 115 6.032 74.190 15.685 1.00 0.46ATOM 1042 NH2 ARG 115 6.907 74.214 13.567 1.00 0.52 ATOM 1043 N SER 1166.112 66.832 13.440 1.00 46.36 ATOM 1044 CA SER 116 7.241 65.915 13.4371.00 58.82 ATOM 1045 C SER 116 8.116 66.222 12.239 1.00 52.50 ATOM 1046O SER 116 7.667 66.862 11.292 1.00 69.05 ATOM 1047 CB SER 116 6.75764.469 13.386 1.00 72.93 ATOM 1048 OG SER 116 6.002 64.230 12.213 1.0083.93 ATOM 1049 N PRO 142 10.324 61.372 −0.478 1.00 35.84 ATOM 1050 CAPRO 142 9.506 60.163 −0.335 1.00 26.02 ATOM 1051 C PRO 142 8.056 60.543−0.236 1.00 44.44 ATOM 1052 O PRO 142 7.763 61.471 0.506 1.00 49.76 ATOM1053 CB PRO 142 9.947 59.573 1.014 1.00 38.65 ATOM 1054 CG PRO 14210.918 60.586 1.641 1.00 43.31 ATOM 1055 CD PRO 142 10.869 61.846 0.8051.00 41.46 ATOM 1056 N VAL 143 7.177 59.858 −0.968 1.00 38.87 ATOM 1057CA VAL 143 5.740 60.109 −0.923 1.00 40.60 ATOM 1058 C VAL 143 4.98358.795 −0.993 1.00 45.08 ATOM 1059 O VAL 143 5.574 57.724 −1.073 1.0057.65 ATOM 1060 CB VAL 143 5.270 61.010 −2.083 1.00 54.37 ATOM 1061 CG1VAL 143 6.160 62.245 −2.195 1.00 39.31 ATOM 1062 CG2 VAL 143 5.28360.242 −3.384 1.00 52.85 ATOM 1063 N THR 144 3.670 58.890 −0.931 1.0046.10 ATOM 1064 CA THR 144 2.772 57.742 −1.090 1.00 66.56 ATOM 1065 CTHR 144 2.120 57.760 −2.467 1.00 68.98 ATOM 1066 O THR 144 1.621 58.797−2.916 1.00 67.59 ATOM 1067 CB THR 144 1.608 57.772 −0.073 1.00 79.38ATOM 1068 OG1 THR 144 2.116 58.044 1.237 1.00 90.84 ATOM 1069 CG2 THR144 0.848 56.442 −0.073 1.00 84.80 ATOM 1070 N SER 145 2.112 56.618−3.138 1.00 92.35 ATOM 1071 CA SER 145 1.414 56.528 −4.403 1.00 92.76ATOM 1072 C SER 145 0.348 55.460 −4.281 1.00 93.23 ATOM 1073 O SER 1450.560 54.435 −3.638 1.00 93.67 ATOM 1074 CB SER 145 2.387 56.209 −5.5361.00 93.44 ATOM 1075 OG SER 145 3.120 55.032 −5.253 1.00 94.25 ATOM 1076N LEU 146 −0.811 55.713 −4.875 1.00 93.12 ATOM 1077 CA LEU 146 −1.88654.733 −4.883 1.00 93.52 ATOM 1078 C LEU 146 −2.293 54.437 −6.323 1.0094.04 ATOM 1079 O LEU 146 −2.412 55.348 −7.135 1.00 93.70 ATOM 1080 CBLEU 146 −3.069 55.225 −4.048 1.00 92.85 ATOM 1081 CG LEU 146 −4.19354.212 −3.829 1.00 93.13 ATOM 1082 CD1 LEU 146 −4.655 54.224 −2.381 1.0092.61 ATOM 1083 CD2 LEU 146 −5.349 54.466 −4.792 1.00 93.10 ATOM 1084 NCYS 147 −2.491 53.162 −6.639 1.00 94.85 ATOM 1085 CA CYS 147 −2.70452.746 −8.023 1.00 95.44 ATOM 1086 C CYS 147 −4.145 52.903 −8.502 1.0095.11 ATOM 1087 O CYS 147 −5.049 52.276 −7.955 1.00 95.12 ATOM 1088 CBCYS 147 −2.269 51.291 −8.216 1.00 96.58 ATOM 1089 SG CYS 147 −2.40850.751 −9.928 1.00 97.39 ATOM 1090 N PRO 148 −4.354 53.721 −9.550 1.0094.79 ATOM 1091 CA PRO 148 −5.687 53.948 −10.123 1.00 94.46 ATOM 1092 CPRO 148 −6.311 52.675 −10.712 1.00 95.13 ATOM 1093 O PRO 148 −7.50052.438 −10.497 1.00 94.91 ATOM 1094 CB PRO 148 −5.425 54.976 −11.2331.00 94.10 ATOM 1095 CG PRO 148 −4.110 55.588 −10.900 1.00 93.98 ATOM1096 CD PRO 148 −3.320 54.494 −10.256 1.00 94.69 ATOM 1097 N CYS 149−5.524 51.877 −11.438 1.00 95.97 ATOM 1098 CA CYS 149 −6.015 50.634−12.031 1.00 96.73 ATOM 1099 C CYS 149 −6.454 49.635 −10.961 1.00 97.03ATOM 1100 O CYS 149 −7.487 48.982 −11.100 1.00 97.11 ATOM 1101 CB CYS149 −4.953 50.002 −12.937 1.00 0.39 ATOM 1102 SG CYS 149 −5.365 48.319−13.513 1.00 98.92 ATOM 1103 N SER 150 −5.661 49.525 −9.897 1.00 97.14ATOM 1104 CA SER 150 −5.968 48.646 −8.773 1.00 97.32 ATOM 1105 C SER 150−7.297 49.007 −8.122 1.00 96.45 ATOM 1106 O SER 150 −8.116 48.135 −7.8441.00 96.62 ATOM 1107 CB SER 150 −4.853 48.725 −7.731 1.00 97.36 ATOM1108 OG SER 150 −5.142 47.922 −6.603 1.00 97.43 ATOM 1109 N LYS 151−7.494 50.300 −7.874 1.00 95.57 ATOM 1110 CA LYS 151 −8.742 50.817−7.308 1.00 94.80 ATOM 1111 C LYS 151 −9.939 50.554 −8.227 1.00 94.79ATOM 1112 O LYS 151 −10.957 50.001 −7.802 1.00 94.68 ATOM 1113 CB LYS151 −8.611 52.321 −7.039 1.00 94.03 ATOM 1114 CG LYS 151 −9.884 52.967−6.534 1.00 93.37 ATOM 1115 CD LYS 151 −9.763 54.478 −6.462 1.00 92.78ATOM 1116 CE LYS 151 −11.067 55.083 −5.973 1.00 92.30 ATOM 1117 NZ LYS151 −11.016 56.557 −5.900 1.00 91.85 ATOM 1118 N GLU 152 −9.789 50.956−9.486 1.00 94.88 ATOM 1119 CA GLU 152 −10.808 50.814 −10.524 1.00 99.88ATOM 1120 C GLU 152 −11.333 49.385 −10.726 1.00 95.41 ATOM 1121 O GLU152 −12.530 49.180 −10.933 1.00 95.13 ATOM 1122 CB GLU 152 −10.24651.351 −11.842 1.00 0.77 ATOM 1123 CG GLU 152 −11.165 51.236 −13.0381.00 0.86 ATOM 1124 CD GLU 152 −10.473 51.663 −14.318 1.00 0.48 ATOM1125 OE1 GLU 152 −9.369 51.147 −14.596 1.00 0.36 ATOM 1126 OE2 GLU 152−11.028 52.515 −15.043 1.00 0.55 ATOM 1127 N ILE 153 −10.440 48.400−10.668 1.00 98.72 ATOM 1128 CA ILE 153 −10.815 47.023 −10.987 1.00 0.24ATOM 1129 C ILE 153 −11.296 46.187 −9.797 1.00 97.15 ATOM 1130 O ILE 153−11.995 45.191 −9.988 1.00 97.36 ATOM 1131 CB ILE 153 −9.682 46.255−11.722 1.00 98.13 ATOM 1132 CG1 ILE 153 −8.480 46.043 −10.800 1.0098.60 ATOM 1133 CG2 ILE 153 −9.289 46.971 −13.006 1.00 98.08 ATOM 1134CD1 ILE 153 −7.425 45.135 −11.380 1.00 99.90 ATOM 1135 N SER 154 −10.92846.572 −8.579 1.00 96.66 ATOM 1136 CA SER 154 −11.331 45.789 −7.411 1.0096.63 ATOM 1137 C SER 154 −12.547 46.390 −6.712 1.00 95.64 ATOM 1138 OSER 154 −12.783 47.598 −6.793 1.00 94.99 ATOM 1139 CB SER 154 −10.16445.589 −6.436 1.00 96.93 ATOM 1140 OG SER 154 −9.523 46.810 −6.138 1.0096.38 ATOM 1141 N GLN 155 −13.323 45.541 −6.043 1.00 95.57 ATOM 1142 CAGLN 155 −14.556 45.982 −5.394 1.00 94.71 ATOM 1143 C GLN 155 −14.26546.748 −4.110 1.00 94.12 ATOM 1144 O GLN 155 −15.114 47.487 −3.607 1.0093.43 ATOM 1145 CB GLN 155 −15.493 44.801 −5.126 1.00 0.29 ATOM 1146 CGGLN 155 −14.877 43.669 −4.320 1.00 0.53 ATOM 1147 CD GLN 155 −15.86642.552 −4.039 1.00 0.79 ATOM 1148 OE1 GLN 155 −17.047 42.799 −3.786 1.000.94 ATOM 1149 NE2 GLN 155 −15.387 41.315 −4.080 1.00 0.95 ATOM 1150 NTYR 156 −13.058 46.558 −3.586 1.00 94.45 ATOM 1151 CA TYR 156 −12.54847.368 −2.483 1.00 93.90 ATOM 1152 C TYR 156 −11.030 47.300 −2.429 1.0095.21 ATOM 1153 O TYR 156 −10.417 46.409 −3.023 1.00 95.22 ATOM 1154 CBTYR 156 −13.154 46.954 −1.136 1.00 93.42 ATOM 1155 CG TYR 156 −13.39745.470 −0.969 1.00 96.29 ATOM 1156 CD1 TYR 156 −12.340 44.567 −0.9521.00 94.61 ATOM 1157 CD2 TYR 156 −14.688 44.975 −0.804 1.00 93.79 ATOM1158 CE1 TYR 156 −12.565 43.205 −0.793 1.00 0.99 ATOM 1159 CE2 TYR 156−14.923 43.620 −0.643 1.00 0.56 ATOM 1160 CZ TYR 156 −13.859 42.737−0.638 1.00 0.71 ATOM 1161 OH TYR 156 −14.088 41.389 −0.475 1.00 0.86ATOM 1162 N GLY 157 −10.430 48.252 −1.721 1.00 93.87 ATOM 1163 CA GLY157 −8.989 48.300 −1.574 1.00 94.19 ATOM 1164 C GLY 157 −8.289 48.790−2.826 1.00 94.61 ATOM 1165 O GLY 157 −8.860 48.789 −3.914 1.00 94.83ATOM 1166 N ALA 158 −7.044 49.223 −2.658 1.00 94.67 ATOM 1167 CA ALA 158−6.180 49.599 −3.770 1.00 95.10 ATOM 1168 C ALA 158 −4.752 49.488 −3.2731.00 95.37 ATOM 1169 O ALA 158 −4.422 50.015 −2.213 1.00 94.74 ATOM 1170CB ALA 158 −6.473 51.017 −4.229 1.00 94.43 ATOM 1171 N HIS 159 −3.89948.788 −4.008 1.00 96.33 ATOM 1172 CA HIS 159 −2.535 48.658 −3.536 1.0096.64 ATOM 1173 C HIS 159 −1.857 50.023 −3.619 1.00 95.96 ATOM 1174 OHIS 159 −2.001 50.750 −4.602 1.00 95.83 ATOM 1175 CB HIS 159 −1.75647.559 −4.276 1.00 97.98 ATOM 1176 CG HIS 159 −1.206 47.985 −5.598 1.0098.41 ATOM 1177 ND1 HIS 159 −0.055 48.731 −5.717 1.00 98.28 ATOM 1178CD2 HIS 159 −1.641 47.757 −6.855 1.00 98.92 ATOM 1179 CE1 HIS 159 0.19048.958 −6.996 1.00 98.69 ATOM 1180 NE2 HIS 159 −0.758 48.376 −7.704 1.0099.08 ATOM 1181 N ASN 160 −1.173 50.380 −2.541 1.00 95.46 ATOM 1182 CAASN 160 −0.370 51.585 −2.495 1.00 94.85 ATOM 1183 C ASN 160 1.022 51.221−2.001 1.00 95.19 ATOM 1184 O ASN 160 1.264 50.080 −1.603 1.00 95.86ATOM 1185 CB ASN 160 −1.025 52.657 −1.613 1.00 93.70 ATOM 1186 CG ASN160 −1.510 52.116 −0.286 1.00 93.37 ATOM 1187 OD1 ASN 160 −2.673 51.739−0.146 1.00 93.31 ATOM 1188 ND2 ASN 160 −0.626 52.085 0.699 1.00 93.09ATOM 1189 N GLN 161 1.941 52.178 −2.045 1.00 94.75 ATOM 1190 CA GLN 1613.318 51.913 −1.664 1.00 95.04 ATOM 1191 C GLN 161 4.075 53.212 −1.5181.00 94.19 ATOM 1192 O GLN 161 3.591 54.280 −1.909 1.00 93.54 ATOM 1193CB GLN 161 4.010 51.048 −2.717 1.00 96.35 ATOM 1194 CG GLN 161 3.95051.624 −4.121 1.00 96.52 ATOM 1195 CD GLN 161 2.646 51.299 −4.833 1.0096.74 ATOM 1196 OE1 GLN 161 2.166 50.166 −4.783 1.00 97.47 ATOM 1197 NE2GLN 161 2.069 52.293 −5.504 1.00 96.11 ATOM 1198 N ARG 162 5.267 53.115−0.948 1.00 94.19 ATOM 1199 CA ARG 162 6.137 54.262 −0.884 1.00 93.45ATOM 1200 C ARG 162 6.698 54.493 −2.278 1.00 94.02 ATOM 1201 O ARG 1626.983 53.549 −3.020 1.00 95.15 ATOM 1202 CB ARG 162 7.251 54.057 0.1451.00 93.25 ATOM 1203 CG ARG 162 7.743 55.356 0.778 1.00 92.02 ATOM 1204CD ARG 162 8.796 55.103 1.840 1.00 0.01 ATOM 1205 NE ARG 162 8.23154.534 3.059 1.00 91.42 ATOM 1206 CZ ARG 162 8.945 53.890 3.976 1.0093.79 ATOM 1207 NH1 ARG 162 10.251 53.724 3.806 1.00 91.78 ATOM 1208 NH2ARG 162 8.353 53.406 5.059 1.00 91.03 ATOM 1209 N SER 163 6.811 55.767−2.632 1.00 47.09 ATOM 1210 CA SER 163 7.414 56.185 −3.886 1.00 43.85ATOM 1211 C SER 163 8.524 57.201 −3.595 1.00 48.09 ATOM 1212 O SER 1638.397 58.015 −2.694 1.00 43.99 ATOM 1213 CB SER 163 6.325 56.776 −4.7861.00 51.94 ATOM 1214 OG SER 163 6.868 57.366 −5.949 1.00 81.97 ATOM 1215N HIS 164 9.624 57.125 −4.336 1.00 37.14 ATOM 1216 CA HIS 164 10.65158.145 −4.270 1.00 35.94 ATOM 1217 C HIS 164 10.540 58.980 −5.529 1.0043.89 ATOM 1218 O HIS 164 10.570 58.455 −6.643 1.00 42.93 ATOM 1219 CBHIS 164 12.044 57.519 −4.153 1.00 49.63 ATOM 1220 CG HIS 164 12.26456.789 −2.857 1.00 73.84 ATOM 1221 ND1 HIS 164 13.125 55.709 −2.748 1.0079.92 ATOM 1222 CD2 HIS 164 11.732 56.973 −1.632 1.00 68.49 ATOM 1223CE1 HIS 164 13.114 55.275 −1.501 1.00 79.23 ATOM 1224 NE2 HIS 164 12.27956.020 −0.797 1.00 71.70 ATOM 1225 N ILE 181 10.571 70.615 −2.622 1.0038.53 ATOM 1226 CA ILE 181 9.757 69.675 −1.864 1.00 36.63 ATOM 1227 CILE 181 8.243 69.969 −2.002 1.00 51.18 ATOM 1228 O ILE 181 7.433 69.045−2.155 1.00 44.19 ATOM 1229 CB ILE 181 10.171 69.654 −0.377 1.00 35.04ATOM 1230 CG1 ILE 181 11.587 69.071 −0.239 1.00 31.82 ATOM 1231 CG2 ILE181 9.132 68.903 0.457 1.00 30.75 ATOM 1232 CD1 ILE 181 12.198 69.1631.161 1.00 38.43 ATOM 1233 N ASP 182 7.879 71.253 −1.964 1.00 40.80 ATOM1234 CA ASP 182 6.476 71.684 −2.095 1.00 38.01 ATOM 1235 C ASP 182 5.90271.348 −3.478 1.00 44.33 ATOM 1236 O ASP 182 4.818 70.788 −3.578 1.0043.19 ATOM 1237 CB ASP 182 6.324 73.175 −1.775 1.00 37.87 ATOM 1238 CGASP 182 6.455 73.472 −0.275 1.00 61.34 ATOM 1239 OD1 ASP 182 6.18972.568 0.553 1.00 62.93 ATOM 1240 OD2 ASP 182 6.823 74.614 0.086 1.0058.69 ATOM 1241 N TYR 183 6.643 71.655 −4.539 1.00 37.99 ATOM 1242 CATYR 183 6.211 71.260 −5.878 1.00 39.70 ATOM 1243 C TYR 183 5.865 69.781−5.957 1.00 52.99 ATOM 1244 O TYR 183 4.984 69.381 −6.708 1.00 53.89ATOM 1245 CB TYR 183 7.279 71.552 −6.934 1.00 39.65 ATOM 1246 CG TYR 1837.415 73.002 −7.330 1.00 55.07 ATOM 1247 CD1 TYR 183 6.300 73.834 −7.4131.00 60.10 ATOM 1248 CD2 TYR 183 8.655 73.535 −7.651 1.00 44.43 ATOM1249 CE1 TYR 183 6.421 75.161 −7.783 1.00 73.20 ATOM 1250 CE2 TYR 1838.787 74.853 −8.028 1.00 60.20 ATOM 1251 CZ TYR 183 7.667 75.666 −8.0921.00 70.47 ATOM 1252 OH TYR 183 7.796 76.981 −8.471 1.00 74.31 ATOM 1253N VAL 184 6.571 68.956 −5.201 1.00 40.52 ATOM 1254 CA VAL 184 6.32467.526 −5.295 1.00 41.20 ATOM 1255 C VAL 184 5.186 67.061 −4.386 1.0041.72 ATOM 1256 O VAL 184 4.304 66.334 −4.826 1.00 46.40 ATOM 1257 CBVAL 184 7.604 66.667 −5.056 1.00 39.23 ATOM 1258 CG1 VAL 184 7.23065.201 −4.946 1.00 44.52 ATOM 1259 CG2 VAL 184 8.605 66.872 −6.185 1.0037.38 ATOM 1260 N GLU 185 5.203 67.481 −3.131 1.00 37.33 ATOM 1261 CAGLU 185 4.293 66.910 −2.156 1.00 40.53 ATOM 1262 C GLU 185 2.849 67.311−2.472 1.00 58.15 ATOM 1263 O GLU 185 1.911 66.547 −2.225 1.00 63.95ATOM 1264 CB GLU 185 4.712 67.297 −0.739 1.00 37.22 ATOM 1265 CG GLU 1855.944 66.540 −0.253 1.00 56.36 ATOM 1266 CD GLU 185 6.302 66.855 1.1881.00 58.49 ATOM 1267 OE1 GLU 185 5.913 67.936 1.673 1.00 54.54 ATOM 1268OE2 GLU 185 6.981 66.026 1.837 1.00 55.30 ATOM 1269 N THR 186 2.70568.506 −3.040 1.00 58.75 ATOM 1270 CA THR 186 1.442 69.024 −3.556 1.0061.49 ATOM 1271 C THR 186 0.776 68.037 −4.505 1.00 55.72 ATOM 1272 O THR186 −0.429 67.845 −4.459 1.00 61.05 ATOM 1273 CB THR 186 1.684 70.351−4.309 1.00 61.83 ATOM 1274 OG1 THR 186 1.715 71.431 −3.369 1.00 68.11ATOM 1275 CG2 THR 186 0.603 70.601 −5.335 1.00 71.42 ATOM 1276 N GLN 1871.581 67.393 −5.339 1.00 77.31 ATOM 1277 CA GLN 187 1.078 66.523 −6.3931.00 77.26 ATOM 1278 C GLN 187 0.934 65.046 −6.009 1.00 76.67 ATOM 1279O GLN 187 0.447 64.247 −6.804 1.00 76.96 ATOM 1280 CB GLN 187 2.00166.620 −7.606 1.00 76.96 ATOM 1281 CG GLN 187 2.215 68.017 −8.095 1.0077.69 ATOM 1282 CD GLN 187 0.969 68.579 −8.695 1.00 79.02 ATOM 1283 OE1GLN 187 0.067 67.835 −9.079 1.00 79.37 ATOM 1284 NE2 GLN 187 0.90169.898 −8.786 1.00 80.11 ATOM 1285 N ALA 188 1.372 64.665 −4.818 1.0076.11 ATOM 1286 CA ALA 188 1.357 63.246 −4.464 1.00 75.76 ATOM 1287 CALA 188 −0.046 62.758 −4.083 1.00 76.42 ATOM 1288 O ALA 188 −0.87463.548 −3.629 1.00 76.99 ATOM 1289 CB ALA 188 2.356 62.958 −3.344 1.0075.21 ATOM 1290 N SER 189 −0.303 61.463 −4.291 1.00 76.61 ATOM 1291 CASER 189 −1.531 60.823 −3.819 1.00 77.40 ATOM 1292 C SER 189 −1.70461.180 −2.359 1.00 79.46 ATOM 1293 O SER 189 −2.789 61.603 −1.933 1.0077.83 ATOM 1294 CB SER 189 −1.461 59.302 −3.965 1.00 77.73 ATOM 1295 OGSER 189 −1.641 58.911 −5.308 1.00 78.51 ATOM 1296 N CYS 190 −0.62560.991 −1.602 1.00 76.27 ATOM 1297 CA CYS 190 −0.481 61.607 −0.291 1.0076.02 ATOM 1298 C CYS 190 0.975 61.643 0.155 1.00 75.41 ATOM 1299 O CYS190 1.801 60.864 −0.313 1.00 75.21 ATOM 1300 CB CYS 190 −1.348 60.9250.766 1.00 91.77 ATOM 1301 SG CYS 190 −1.875 62.078 2.080 1.00 98.91ATOM 1302 N GLN 191 1.288 62.562 1.057 1.00 75.45 ATOM 1303 CA GLN 1912.659 62.708 1.525 1.00 75.31 ATOM 1304 C GLN 191 2.889 61.901 2.7991.00 75.40 ATOM 1305 O GLN 191 1.942 61.393 3.402 1.00 75.47 ATOM 1306CB GLN 191 2.998 64.187 1.730 1.00 75.73 ATOM 1307 CG GLN 191 1.82065.018 2.190 1.00 76.28 ATOM 1308 CD GLN 191 2.140 66.486 2.240 1.0080.40 ATOM 1309 OE1 GLN 191 2.850 66.948 3.133 1.00 77.60 ATOM 1310 NE2GLN 191 1.612 67.236 1.280 1.00 81.30 ATOM 1311 N LEU 192 4.153 61.7773.192 1.00 75.60 ATOM 1312 CA LEU 192 4.528 61.012 4.379 1.00 75.98 ATOM1313 C LEU 192 4.661 61.909 5.608 1.00 76.53 ATOM 1314 O LEU 192 4.95963.098 5.494 1.00 76.85 ATOM 1315 CB LEU 192 5.842 60.266 4.138 1.0076.39 ATOM 1316 CG LEU 192 5.866 59.302 2.956 1.00 76.19 ATOM 1317 CD1LEU 192 7.208 58.607 2.866 1.00 76.97 ATOM 1318 CD2 LEU 192 4.755 58.2903.089 1.00 76.14 ATOM 1319 N TYR 193 4.425 61.330 6.781 1.00 76.83 ATOM1320 CA TYR 193 4.630 62.026 8.048 1.00 77.60 ATOM 1321 C TYR 193 5.34361.086 9.011 1.00 78.30 ATOM 1322 O TYR 193 5.185 59.868 8.930 1.0078.11 ATOM 1323 CB TYR 193 3.297 62.491 8.653 1.00 77.49 ATOM 1324 CGTYR 193 2.511 63.450 7.782 1.00 77.25 ATOM 1325 CD1 TYR 193 2.701 64.8227.877 1.00 78.00 ATOM 1326 CD2 TYR 193 1.572 62.980 6.865 1.00 76.63ATOM 1327 CE1 TYR 193 1.984 65.700 7.083 1.00 78.10 ATOM 1328 CE2 TYR193 0.853 63.852 6.066 1.00 76.74 ATOM 1329 CZ TYR 193 1.064 65.2106.183 1.00 77.46 ATOM 1330 OH TYR 193 0.356 66.080 5.395 1.00 77.87 ATOM1331 N GLY 194 6.138 61.651 9.913 1.00 79.42 ATOM 1332 CA GLY 194 6.80960.855 10.923 1.00 80.46 ATOM 1333 C GLY 194 5.856 60.416 12.024 1.0080.39 ATOM 1334 O GLY 194 5.953 59.300 12.538 1.00 90.26 ATOM 1335 N LEU195 4.923 61.299 12.375 1.00 80.09 ATOM 1336 CA LEU 195 3.999 61.06913.483 1.00 80.50 ATOM 1337 C LEU 195 2.545 61.280 13.058 1.00 87.63ATOM 1338 O LEU 195 2.166 62.378 12.639 1.00 79.12 ATOM 1339 CB LEU 1954.334 62.010 14.641 1.00 81.47 ATOM 1340 CG LEU 195 3.877 61.620 16.0461.00 82.08 ATOM 1341 CD1 LEU 195 4.554 62.514 17.068 1.00 83.80 ATOM1342 CD2 LEU 195 2.368 61.696 16.186 1.00 91.32 ATOM 1343 N LEU 1961.737 60.229 13.180 1.00 78.72 ATOM 1344 CA LEU 196 0.314 60.299 12.8631.00 78.17 ATOM 1345 C LEU 196 −0.524 59.674 13.969 1.00 78.46 ATOM 1346O LEU 196 −0.206 58.593 14.467 1.00 78.70 ATOM 1347 CB LEU 196 0.01559.578 11.548 1.00 77.52 ATOM 1348 CG LEU 196 0.682 60.112 10.285 1.0077.15 ATOM 1349 CD1 LEU 196 0.482 59.151 9.125 1.00 76.76 ATOM 1350 CD2LEU 196 0.132 61.485 9.961 1.00 77.20 ATOM 1351 N LYS 197 −1.600 60.35414.347 1.00 78.62 ATOM 1352 CA LYS 197 −2.579 59.783 15.265 1.00 86.92ATOM 1353 C LYS 197 −3.697 59.103 14.471 1.00 84.36 ATOM 1354 O LYS 197−3.750 59.227 13.250 1.00 78.30 ATOM 1355 CB LYS 197 −3.149 60.86516.187 1.00 87.85 ATOM 1356 CG LYS 197 −2.125 61.466 17.140 1.00 97.73ATOM 1357 CD LYS 197 −1.043 60.448 17.481 1.00 0.65 ATOM 1358 CE LYS 197−0.395 60.730 18.825 1.00 0.58 ATOM 1359 NZ LYS 197 −1.184 60.137 19.9391.00 0.14 ATOM 1360 N ARG 198 −4.582 58.390 15.165 1.00 79.02 ATOM 1361CA ARG 198 −5.703 57.694 14.523 1.00 88.62 ATOM 1362 C ARG 198 −6.46558.513 13.475 1.00 90.64 ATOM 1363 O ARG 198 −6.648 58.052 12.349 1.0079.37 ATOM 1364 CB ARG 198 −6.685 57.171 15.572 1.00 95.76 ATOM 1365 CGARG 198 −6.523 55.710 15.908 1.00 0.91 ATOM 1366 CD ARG 198 −7.42155.331 17.070 1.00 0.94 ATOM 1367 NE ARG 198 −7.901 53.959 16.953 1.000.52 ATOM 1368 CZ ARG 198 −9.089 53.629 16.457 1.00 0.91 ATOM 1369 NH1ARG 198 −9.919 54.577 16.039 1.00 0.67 ATOM 1370 NH2 ARG 198 −9.44852.353 16.381 1.00 0.24 ATOM 1371 N PRO 199 −6.933 59.719 13.848 1.0079.78 ATOM 1372 CA PRO 199 −7.649 60.561 12.883 1.00 80.54 ATOM 1373 CPRO 199 −6.782 60.966 11.684 1.00 83.44 ATOM 1374 O PRO 199 −7.31661.104 10.584 1.00 79.98 ATOM 1375 CB PRO 199 −8.028 61.797 13.717 1.0081.05 ATOM 1376 CG PRO 199 −7.080 61.773 14.878 1.00 84.72 ATOM 1377 CDPRO 199 −6.956 60.322 15.192 1.00 83.17 ATOM 1378 N ASP 200 −5.47961.152 11.899 1.00 78.96 ATOM 1379 CA ASP 200 −4.541 61.505 10.831 1.0078.42 ATOM 1380 C ASP 200 −4.407 60.383 9.822 1.00 79.19 ATOM 1381 O ASP200 −4.465 60.603 8.611 1.00 77.91 ATOM 1382 CB ASP 200 −3.155 61.77611.407 1.00 78.13 ATOM 1383 CG ASP 200 −3.103 63.030 12.223 1.00 82.28ATOM 1384 OD1 ASP 200 −3.716 64.026 11.799 1.00 79.46 ATOM 1385 OD2 ASP200 −2.441 63.023 13.280 1.00 87.15 ATOM 1386 N GLU 201 −4.191 59.18010.343 1.00 77.87 ATOM 1387 CA GLU 201 −4.068 57.982 9.527 1.00 88.08ATOM 1388 C GLU 201 −5.343 57.714 8.731 1.00 82.38 ATOM 1389 O GLU 201−5.280 57.350 7.557 1.00 78.63 ATOM 1390 CB GLU 201 −3.725 56.775 10.3971.00 78.07 ATOM 1391 CG GLU 201 −3.905 55.469 9.680 1.00 82.77 ATOM 1392CD GLU 201 −3.066 54.372 10.263 1.00 86.32 ATOM 1393 OE1 GLU 201 −2.75854.411 11.473 1.00 94.84 ATOM 1394 OE2 GLU 201 −2.716 53.468 9.491 1.0079.42 ATOM 1395 N LYS 202 −6.497 57.890 9.370 1.00 79.23 ATOM 1396 CALYS 202 −7.769 57.762 8.673 1.00 80.32 ATOM 1397 C LYS 202 −7.821 58.7397.497 1.00 80.40 ATOM 1398 O LYS 202 −8.153 58.359 6.374 1.00 80.99 ATOM1399 CB LYS 202 −8.931 58.014 9.630 1.00 81.23 ATOM 1400 CG LYS 202−10.249 58.187 8.921 1.00 82.74 ATOM 1401 CD LYS 202 −11.374 58.4879.885 1.00 83.85 ATOM 1402 CE LYS 202 −12.645 58.814 9.126 1.00 85.72ATOM 1403 NZ LYS 202 −13.745 59.169 10.052 1.00 0.18 ATOM 1404 N TYR 203−7.468 59.992 7.767 1.00 80.02 ATOM 1405 CA TYR 203 −7.406 61.038 6.7511.00 80.20 ATOM 1406 C TYR 203 −6.462 60.701 5.590 1.00 79.44 ATOM 1407O TYR 203 −6.804 60.907 4.429 1.00 79.97 ATOM 1408 CB TYR 203 −6.98362.360 7.399 1.00 80.10 ATOM 1409 CG TYR 203 −6.890 63.523 6.439 1.0080.53 ATOM 1410 CD1 TYR 203 −7.977 64.366 6.231 1.00 82.06 ATOM 1411 CD2TYR 203 −5.717 63.779 5.740 1.00 79.65 ATOM 1412 CE1 TYR 203 −7.90065.429 5.356 1.00 82.73 ATOM 1413 CE2 TYR 203 −5.629 64.842 4.858 1.0080.16 ATOM 1414 CZ TYR 203 −6.724 65.665 4.673 1.00 82.73 ATOM 1415 OHTYR 203 −6.644 66.721 3.798 1.00 82.87 ATOM 1416 N VAL 204 −5.276 60.1905.909 1.00 78.40 ATOM 1417 CA VAL 204 −4.255 59.899 4.897 1.00 87.71ATOM 1418 C VAL 204 −4.627 58.684 4.013 1.00 78.27 ATOM 1419 O VAL 204−4.436 58.706 2.795 1.00 78.34 ATOM 1420 CB VAL 204 −2.831 59.766 5.5531.00 76.92 ATOM 1421 CG1 VAL 204 −2.497 58.324 5.901 1.00 76.96 ATOM1422 CG2 VAL 204 −1.766 60.349 4.663 1.00 76.41 ATOM 1423 N THR 205−5.180 57.644 4.639 1.00 78.84 ATOM 1424 CA THR 205 −5.709 56.466 3.9451.00 79.87 ATOM 1425 C THR 205 −6.769 56.848 2.913 1.00 81.00 ATOM 1426O THR 205 −6.703 56.441 1.752 1.00 81.54 ATOM 1427 CB THR 205 −6.35855.474 4.951 1.00 80.67 ATOM 1428 OG1 THR 205 −5.397 55.073 5.934 1.0079.91 ATOM 1429 CG2 THR 205 −6.887 54.240 4.241 1.00 82.14 ATOM 1430 NGLU 206 −7.746 57.634 3.361 1.00 81.59 ATOM 1431 CA GLU 206 −8.88058.047 2.539 1.00 83.15 ATOM 1432 C GLU 206 −8.497 59.008 1.417 1.0082.92 ATOM 1433 O GLU 206 −8.919 58.829 0.280 1.00 84.05 ATOM 1434 CBGLU 206 −9.965 58.663 3.420 1.00 84.07 ATOM 1435 CG GLU 206 −10.61057.655 4.353 1.00 84.78 ATOM 1436 CD GLU 206 −11.558 58.286 5.361 1.000.42 ATOM 1437 OE1 GLU 206 −11.678 59.533 5.384 1.00 0.46 ATOM 1438 OE2GLU 206 −12.182 57.528 6.136 1.00 98.72 ATOM 1439 N LYS 207 −7.69960.022 1.744 1.00 81.67 ATOM 1440 CA LYS 207 −7.228 61.007 0.769 1.0081.45 ATOM 1441 C LYS 207 −6.425 60.371 −0.378 1.00 80.95 ATOM 1442 OLYS 207 −6.573 60.760 −1.535 1.00 81.57 ATOM 1443 CB LYS 207 −6.40362.097 1.471 1.00 82.62 ATOM 1444 CG LYS 207 −5.506 62.928 0.558 1.000.81 ATOM 1445 CD LYS 207 −6.286 64.003 −0.185 1.00 0.19 ATOM 1446 CELYS 207 −5.345 64.988 −0.866 1.00 0.78 ATOM 1447 NZ LYS 207 −6.08966.106 −1.511 1.00 0.10 ATOM 1448 N ALA 208 −5.577 59.398 −0.054 1.0080.02 ATOM 1449 CA ALA 208 −4.814 58.684 −1.072 1.00 79.80 ATOM 1450 CALA 208 −5.747 57.870 −1.965 1.00 81.46 ATOM 1451 O ALA 208 −5.57057.822 −3.184 1.00 81.88 ATOM 1452 CB ALA 208 −3.767 57.783 −0.420 1.0078.93 ATOM 1453 N TYR 209 −6.740 57.235 −1.344 1.00 82.59 ATOM 1454 CATYR 209 −7.751 56.466 −2.067 1.00 84.67 ATOM 1455 C TYR 209 −8.51657.344 −3.062 1.00 85.92 ATOM 1456 O TYR 209 −8.824 56.901 −4.166 1.0087.37 ATOM 1457 CB TYR 209 −8.716 55.781 −1.090 1.00 85.82 ATOM 1458 CGTYR 209 −9.615 54.729 −1.713 1.00 88.27 ATOM 1459 CD1 TYR 209 −9.20053.408 −1.815 1.00 88.83 ATOM 1460 CD2 TYR 209 −10.885 55.056 −2.1841.00 90.41 ATOM 1461 CE1 TYR 209 −10.016 52.442 −2.376 1.00 91.44 ATOM1462 CE2 TYR 209 −11.711 54.097 −2.745 1.00 93.05 ATOM 1463 CZ TYR 209−11.271 52.789 −2.838 1.00 94.48 ATOM 1464 OH TYR 209 −12.080 51.819−3.394 1.00 96.54 ATOM 1465 N GLU 210 −8.805 58.586 −2.677 1.00 85.61ATOM 1466 CA GLU 210 −9.536 59.518 −3.540 1.00 87.08 ATOM 1467 C GLU 210−8.646 60.190 −4.590 1.00 86.22 ATOM 1468 O GLU 210 −9.142 60.828 −5.5201.00 87.58 ATOM 1469 CB GLU 210 −10.225 60.599 −2.704 1.00 87.52 ATOM1470 CG GLU 210 −11.164 60.068 −1.643 1.00 88.48 ATOM 1471 CD GLU 210−11.399 61.065 −0.522 1.00 0.19 ATOM 1472 OE1 GLU 210 −10.915 62.216−0.625 1.00 87.54 ATOM 1473 OE2 GLU 210 −12.070 60.692 0.467 1.00 0.58ATOM 1474 N ASN 211 −7.332 60.053 −4.440 1.00 84.16 ATOM 1475 CA ASN 211−6.404 60.680 −5.372 1.00 83.31 ATOM 1476 C ASN 211 −5.378 59.681 −5.9171.00 87.15 ATOM 1477 O ASN 211 −4.177 59.836 −5.694 1.00 80.86 ATOM 1478CB ASN 211 −5.707 61.876 −4.705 1.00 89.00 ATOM 1479 CG ASN 211 −4.92462.725 −5.692 1.00 0.16 ATOM 1480 OD1 ASN 211 −5.325 62.889 −6.848 1.000.17 ATOM 1481 ND2 ASN 211 −3.799 63.273 −5.236 1.00 99.78 ATOM 1482 NPRO 212 −5.853 58.649 −6.641 1.00 83.90 ATOM 1483 CA PRO 212 −4.94457.644 −7.205 1.00 83.57 ATOM 1484 C PRO 212 −4.058 58.255 −8.296 1.0082.85 ATOM 1485 O PRO 212 −4.523 59.097 −9.062 1.00 83.56 ATOM 1486 CBPRO 212 −5.901 56.606 −7.817 1.00 85.91 ATOM 1487 CG PRO 212 −7.25656.942 −7.287 1.00 87.27 ATOM 1488 CD PRO 212 −7.244 58.409 −7.051 1.0086.29 ATOM 1489 N LYS 213 −2.796 57.844 −8.356 1.00 81.66 ATOM 1490 CALYS 213 −1.879 58.359 −9.368 1.00 81.02 ATOM 1491 C LYS 213 −0.84757.335 −9.811 1.00 80.90 ATOM 1492 O LYS 213 −0.140 56.746 −8.996 1.0080.25 ATOM 1493 CB LYS 213 −1.174 59.632 −8.888 1.00 79.48 ATOM 1494 CGLYS 213 −1.990 60.898 −9.075 1.00 80.00 ATOM 1495 CD LYS 213 −1.14762.158 −8.942 1.00 80.38 ATOM 1496 CE LYS 213 −2.048 63.376 −8.819 1.0079.77 ATOM 1497 NZ LYS 213 −1.310 64.661 −8.798 1.00 79.21 ATOM 1498 NPHE 214 −0.777 57.132 −11.117 1.00 81.78 ATOM 1499 CA PHE 214 0.27956.351 −11.712 1.00 81.81 ATOM 1500 C PHE 214 1.610 57.094 −11.578 1.0080.07 ATOM 1501 O PHE 214 1.666 58.294 −11.322 1.00 79.06 ATOM 1502 CBPHE 214 −0.011 56.123 −13.199 1.00 83.28 ATOM 1503 CG PHE 214 −1.12755.145 −13.477 1.00 85.59 ATOM 1504 CD1 PHE 214 −1.079 53.849 −12.9801.00 88.35 ATOM 1505 CD2 PHE 214 −2.205 55.511 −14.265 1.00 87.15 ATOM1506 CE1 PHE 214 −2.096 52.946 −13.248 1.00 89.02 ATOM 1507 CE2 PHE 214−3.217 54.611 −14.536 1.00 89.66 ATOM 1508 CZ PHE 214 −3.163 53.329−14.027 1.00 90.59 ATOM 1509 N VAL 215 2.690 56.367 −11.777 1.00 50.17ATOM 1510 CA VAL 215 4.001 56.971 −11.876 1.00 41.74 ATOM 1511 C VAL 2154.075 57.956 −13.059 1.00 47.63 ATOM 1512 O VAL 215 4.762 58.977 −12.9851.00 45.88 ATOM 1513 CB VAL 215 5.105 55.871 −11.916 1.00 50.90 ATOM1514 CG1 VAL 215 5.318 55.349 −13.325 1.00 44.79 ATOM 1515 CG2 VAL 2156.377 56.401 −11.342 1.00 44.27 ATOM 1516 N GLU 216 3.350 57.665 −14.1331.00 38.86 ATOM 1517 CA GLU 216 3.280 58.575 −15.267 1.00 45.56 ATOM1518 C GLU 216 2.645 59.916 −14.884 1.00 44.87 ATOM 1519 O GLU 216 3.12860.973 −15.290 1.00 42.87 ATOM 1520 CB GLU 216 2.519 57.944 −16.431 1.0049.41 ATOM 1521 CG GLU 216 3.149 56.661 −16.979 1.00 63.76 ATOM 1522 CDGLU 216 2.569 55.394 −16.362 1.00 68.55 ATOM 1523 OE1 GLU 216 2.04655.458 −15.233 1.00 69.32 ATOM 1524 OE2 GLU 216 2.638 54.325 −17.0081.00 75.24 ATOM 1525 N ASP 217 1.582 59.875 −14.088 1.00 45.69 ATOM 1526CA ASP 217 0.909 61.107 −13.681 1.00 47.86 ATOM 1527 C ASP 217 1.74961.903 −12.716 1.00 53.47 ATOM 1528 O ASP 217 1.778 63.127 −12.780 1.0061.34 ATOM 1529 CB ASP 217 −0.454 60.823 −13.071 1.00 56.10 ATOM 1530 CGASP 217 −1.341 60.076 −14.015 1.00 74.86 ATOM 1531 OD1 ASP 217 −1.38560.488 −15.200 1.00 74.32 ATOM 1532 OD2 ASP 217 −1.963 59.073 −13.5781.00 80.99 ATOM 1533 N MSE 218 2.447 61.203 −11.828 1.00 48.18 ATOM 1534CA MSE 218 3.335 61.861 −10.876 1.00 48.13 ATOM 1535 C MSE 218 4.36762.772 −11.572 1.00 44.35 ATOM 1536 O MSE 218 4.451 63.975 −11.295 1.0044.73 ATOM 1537 CB MSE 218 4.043 60.809 −10.013 1.00 67.17 ATOM 1538 CGMSE 218 4.792 61.371 −8.792 1.00 78.71 ATOM 1539 SE MSE 218 3.762 62.703−7.728 1.00 0.04 ATOM 1540 CE MSE 218 4.841 62.738 −6.111 1.00 0.62 ATOM1541 N VAL 219 5.153 62.201 −12.479 1.00 38.53 ATOM 1542 CA VAL 2196.170 62.980 −13.154 1.00 34.39 ATOM 1543 C VAL 219 5.567 64.068 −14.0481.00 37.70 ATOM 1544 O VAL 219 6.082 65.181 −14.104 1.00 41.68 ATOM 1545CB VAL 219 7.162 62.105 −13.952 1.00 44.91 ATOM 1546 CG1 VAL 219 7.88661.122 −13.008 1.00 51.70 ATOM 1547 CG2 VAL 219 6.458 61.364 −15.0671.00 34.05 ATOM 1548 N ARG 220 4.485 63.759 −14.750 1.00 38.89 ATOM 1549CA ARG 220 3.850 64.785 −15.578 1.00 45.03 ATOM 1550 C ARG 220 3.43465.993 −14.742 1.00 49.38 ATOM 1551 O ARG 220 3.726 67.133 −15.099 1.0054.21 ATOM 1552 CB ARG 220 2.675 64.225 −16.369 1.00 44.05 ATOM 1553 CGARG 220 3.115 63.556 −17.641 1.00 46.49 ATOM 1554 CD ARG 220 2.03862.720 −18.249 1.00 46.91 ATOM 1555 NE ARG 220 2.410 62.381 −19.605 1.0048.02 ATOM 1556 CZ ARG 220 1.898 61.366 −20.279 1.00 55.99 ATOM 1557 NH1ARG 220 0.979 60.588 −19.716 1.00 44.26 ATOM 1558 NH2 ARG 220 2.30561.139 −21.519 1.00 53.88 ATOM 1559 N ASP 221 2.795 65.736 −13.607 1.0043.66 ATOM 1560 CA ASP 221 2.279 66.813 −12.760 1.00 41.62 ATOM 1561 CASP 221 3.400 67.652 −12.130 1.00 50.60 ATOM 1562 O ASP 221 3.305 68.878−12.090 1.00 44.79 ATOM 1563 CB ASP 221 1.350 66.252 −11.691 1.00 46.23ATOM 1564 CG ASP 221 0.080 65.635 −12.287 1.00 78.89 ATOM 1565 OD1 ASP221 −0.171 65.820 −13.503 1.00 87.03 ATOM 1566 OD2 ASP 221 −0.667 64.963−11.545 1.00 63.65 ATOM 1567 N VAL 222 4.471 67.002 −11.658 1.00 40.55ATOM 1568 CA VAL 222 5.611 67.744 −11.110 1.00 39.97 ATOM 1569 C VAL 2226.353 68.537 −12.189 1.00 40.25 ATOM 1570 O VAL 222 6.749 69.673 −11.9691.00 43.37 ATOM 1571 CB VAL 222 6.641 66.825 −10.424 1.00 40.52 ATOM1572 CG1 VAL 222 7.854 67.628 −10.029 1.00 40.76 ATOM 1573 CG2 VAL 2226.044 66.155 −9.216 1.00 39.98 ATOM 1574 N ALA 223 6.558 67.926 −13.3501.00 42.74 ATOM 1575 CA ALA 223 7.248 68.579 −14.462 1.00 38.34 ATOM1576 C ALA 223 6.516 69.837 −14.951 1.00 48.36 ATOM 1577 O ALA 223 7.13770.841 −15.296 1.00 53.21 ATOM 1578 CB ALA 223 7.427 67.611 −15.606 1.0045.59 ATOM 1579 N THR 224 5.193 69.782 −14.972 1.00 44.31 ATOM 1580 CATHR 224 4.393 70.953 −15.339 1.00 43.02 ATOM 1581 C THR 224 4.677 72.139−14.414 1.00 45.58 ATOM 1582 O THR 224 4.851 73.260 −14.871 1.00 49.95ATOM 1583 CB THR 224 2.905 70.609 −15.329 1.00 42.71 ATOM 1584 OG1 THR224 2.659 69.566 −16.279 1.00 53.74 ATOM 1585 CG2 THR 224 2.085 71.813−15.691 1.00 50.78 ATOM 1586 N SER 225 4.746 71.871 −13.115 1.00 41.80ATOM 1587 CA SER 225 5.075 72.902 −12.142 1.00 51.93 ATOM 1588 C SER 2256.481 73.452 −12.386 1.00 52.55 ATOM 1589 O SER 225 6.711 74.658 −12.2751.00 52.97 ATOM 1590 CB SER 225 4.988 72.369 −10.707 1.00 50.08 ATOM1591 OG SER 225 3.762 71.702 −10.467 1.00 64.07 ATOM 1592 N LEU 2267.430 72.576 −12.708 1.00 43.70 ATOM 1593 CA LEU 226 8.819 73.021−12.875 1.00 41.18 ATOM 1594 C LEU 226 9.005 73.793 −14.182 1.00 49.52ATOM 1595 O LEU 226 9.774 74.742 −14.249 1.00 48.99 ATOM 1596 CB LEU 2269.817 71.851 −12.812 1.00 35.26 ATOM 1597 CG LEU 226 9.817 70.959−11.577 1.00 41.80 ATOM 1598 CD1 LEU 226 10.725 69.764 −11.814 1.0043.92 ATOM 1599 CD2 LEU 226 10.225 71.725 −10.330 1.00 38.82 ATOM 1600 NILE 227 8.308 73.359 −15.221 1.00 44.77 ATOM 1601 CA ILE 227 8.30374.060 −16.499 1.00 46.88 ATOM 1602 C ILE 227 7.765 75.481 −16.353 1.0051.88 ATOM 1603 O ILE 227 8.255 76.398 −17.004 1.00 54.76 ATOM 1604 CBILE 227 7.422 73.325 −17.508 1.00 52.15 ATOM 1605 CG1 ILE 227 8.15272.103 −18.052 1.00 53.45 ATOM 1606 CG2 ILE 227 7.072 74.207 −18.6641.00 38.00 ATOM 1607 CD1 ILE 227 7.233 71.191 −18.818 1.00 47.15 ATOM1608 N ALA 228 6.764 75.656 −15.496 1.00 47.59 ATOM 1609 CA ALA 2286.186 76.976 −15.236 1.00 54.10 ATOM 1610 C ALA 228 7.189 77.921 −14.5571.00 63.76 ATOM 1611 O ALA 228 7.263 79.091 −14.912 1.00 56.69 ATOM 1612CB ALA 228 4.914 76.850 −14.405 1.00 50.72 ATOM 1613 N ASP 229 7.97377.409 −13.605 1.00 57.62 ATOM 1614 CA ASP 229 8.941 78.229 −12.867 1.0050.20 ATOM 1615 C ASP 229 10.052 78.751 −13.783 1.00 53.28 ATOM 1616 OASP 229 10.788 77.976 −14.380 1.00 55.26 ATOM 1617 CB ASP 229 9.52377.434 −11.694 1.00 62.28 ATOM 1618 CG ASP 229 10.189 78.317 −10.6601.00 69.82 ATOM 1619 OD1 ASP 229 11.076 79.108 −11.048 1.00 51.12 ATOM1620 OD2 ASP 229 9.837 78.210 −9.460 1.00 58.63 ATOM 1621 N SER 23910.316 59.328 −11.007 1.00 33.39 ATOM 1622 CA SER 239 9.562 58.739−9.923 1.00 37.64 ATOM 1623 C SER 239 9.770 57.242 −9.947 1.00 41.56ATOM 1624 O SER 239 9.717 56.603 −10.999 1.00 40.74 ATOM 1625 CB SER 2398.066 59.088 −10.029 1.00 39.51 ATOM 1626 OG SER 239 7.366 58.601 −8.9081.00 58.13 ATOM 1627 N GLU 240 10.028 56.688 −8.776 1.00 36.90 ATOM 1628CA GLU 240 10.164 55.253 −8.629 1.00 41.05 ATOM 1629 C GLU 240 9.11154.745 −7.646 1.00 48.68 ATOM 1630 O GLU 240 9.046 55.178 −6.505 1.0044.51 ATOM 1631 CB GLU 240 11.576 54.886 −8.176 1.00 33.98 ATOM 1632 CGGLU 240 11.769 53.430 −7.885 1.00 52.95 ATOM 1633 CD GLU 240 13.24353.043 −7.821 1.00 68.35 ATOM 1634 OE1 GLU 240 14.102 53.961 −7.886 1.0066.40 ATOM 1635 OE2 GLU 240 13.531 51.822 −7.709 1.00 63.55 ATOM 1636 NASN 241 8.276 53.828 −8.105 1.00 42.17 ATOM 1637 CA ASN 241 7.235 53.248−7.269 1.00 43.83 ATOM 1638 C ASN 241 7.582 51.859 −6.808 1.00 51.54ATOM 1639 O ASN 241 7.578 50.945 −7.620 1.00 52.46 ATOM 1640 CB ASN 2415.955 53.109 −8.075 1.00 60.29 ATOM 1641 CG ASN 241 4.965 54.194 −7.7841.00 76.81 ATOM 1642 OD1 ASN 241 3.765 53.945 −7.766 1.00 80.52 ATOM1643 ND2 ASN 241 5.451 55.408 −7.553 1.00 79.98 ATOM 1644 N PHE 2427.845 51.676 −5.517 1.00 50.46 ATOM 1645 CA PHE 242 8.149 50.329 −5.0091.00 66.54 ATOM 1646 C PHE 242 6.862 49.531 −4.825 1.00 56.00 ATOM 1647O PHE 242 6.502 49.147 −3.714 1.00 54.94 ATOM 1648 CB PHE 242 8.97250.390 −3.719 1.00 55.87 ATOM 1649 CG PHE 242 10.225 51.215 −3.851 1.0058.67 ATOM 1650 CD1 PHE 242 11.398 50.637 −4.299 1.00 54.65 ATOM 1651CD2 PHE 242 10.218 52.574 −3.547 1.00 54.51 ATOM 1652 CE1 PHE 242 12.54651.392 −4.432 1.00 56.56 ATOM 1653 CE2 PHE 242 11.360 53.336 −3.670 1.0056.59 ATOM 1654 CZ PHE 242 12.526 52.749 −4.116 1.00 56.20 ATOM 1655 NGLU 243 6.186 49.296 −5.946 1.00 52.01 ATOM 1656 CA GLU 243 4.849 48.726−5.946 1.00 59.99 ATOM 1657 C GLU 243 4.747 47.524 −5.025 1.00 64.49ATOM 1658 O GLU 243 5.620 46.643 −5.016 1.00 57.32 ATOM 1659 CB GLU 2434.390 48.386 −7.366 1.00 67.73 ATOM 1660 CG GLU 243 5.399 47.633 −8.1971.00 99.15 ATOM 1661 CD GLU 243 4.861 47.319 −9.575 1.00 0.05 ATOM 1662OE1 GLU 243 5.665 46.989 −10.472 1.00 0.86 ATOM 1663 OE2 GLU 243 3.62747.409 −9.758 1.00 0.90 ATOM 1664 N SER 244 3.672 47.512 −4.243 1.0053.45 ATOM 1665 CA SER 244 3.523 46.559 −3.154 1.00 53.27 ATOM 1666 CSER 244 3.021 45.194 −3.625 1.00 55.37 ATOM 1667 O SER 244 2.754 44.322−2.800 1.00 62.63 ATOM 1668 CB SER 244 2.589 47.117 −2.074 1.00 58.33ATOM 1669 OG SER 244 1.267 47.190 −2.564 1.00 72.38 ATOM 1670 N ILE 2452.887 45.013 −4.936 1.00 45.75 ATOM 1671 CA ILE 245 2.430 43.738 −5.4821.00 59.96 ATOM 1672 C ILE 245 3.505 43.036 −6.314 1.00 53.42 ATOM 1673O ILE 245 3.319 41.893 −6.741 1.00 58.48 ATOM 1674 CB ILE 245 1.13143.891 −6.323 1.00 61.54 ATOM 1675 CG1 ILE 245 1.395 44.761 −7.550 1.0063.07 ATOM 1676 CG2 ILE 245 −0.003 44.470 −5.479 1.00 53.03 ATOM 1677CD1 ILE 245 0.187 44.935 −8.429 1.00 78.07 ATOM 1678 N HIS 246 4.61943.727 −6.557 1.00 50.73 ATOM 1679 CA HIS 246 5.736 43.149 −7.299 1.0053.43 ATOM 1680 C HIS 246 7.027 43.281 −6.499 1.00 64.72 ATOM 1681 O HIS246 7.071 44.002 −5.509 1.00 62.83 ATOM 1682 CB HIS 246 5.905 43.843−8.646 1.00 49.66 ATOM 1683 CG HIS 246 4.773 43.618 −9.600 1.00 65.04ATOM 1684 ND1 HIS 246 4.062 44.656 −10.162 1.00 65.95 ATOM 1685 CD2 HIS246 4.238 42.479 −10.101 1.00 64.99 ATOM 1686 CE1 HIS 246 3.137 44.167−10.969 1.00 77.08 ATOM 1687 NE2 HIS 246 3.219 42.848 −10.948 1.00 73.91ATOM 1688 N ASN 247 8.085 42.593 −6.923 1.00 56.86 ATOM 1689 CA ASN 2479.385 42.820 −6.291 1.00 52.91 ATOM 1690 C ASN 247 10.353 43.660 −7.1521.00 50.50 ATOM 1691 O ASN 247 11.566 43.502 −7.087 1.00 66.31 ATOM 1692CB ASN 247 10.035 41.517 −5.808 1.00 55.98 ATOM 1693 CG ASN 247 11.11841.770 −4.744 1.00 59.98 ATOM 1694 OD1 ASN 247 10.980 42.677 −3.910 1.0049.10 ATOM 1695 ND2 ASN 247 12.199 40.982 −4.779 1.00 48.52 ATOM 1696 NHIS 248 9.792 44.549 −7.958 1.00 46.70 ATOM 1697 CA HIS 248 10.56445.518 −8.725 1.00 45.58 ATOM 1698 C HIS 248 9.778 46.828 −8.712 1.0043.64 ATOM 1699 O HIS 248 8.694 46.904 −8.130 1.00 49.26 ATOM 1700 CBHIS 248 10.789 45.045 −10.163 1.00 35.45 ATOM 1701 CG HIS 248 9.52944.638 −10.863 1.00 47.99 ATOM 1702 ND1 HIS 248 8.828 45.493 −11.6891.00 54.22 ATOM 1703 CD2 HIS 248 8.830 43.477 −10.842 1.00 46.59 ATOM1704 CE1 HIS 248 7.758 44.875 −12.150 1.00 51.61 ATOM 1705 NE2 HIS 2487.735 43.649 −11.659 1.00 55.20 ATOM 1706 N SER 249 10.318 47.849 −9.3511.00 39.68 ATOM 1707 CA SER 249 9.715 49.166 −9.284 1.00 46.54 ATOM 1708C SER 249 9.181 49.632 −10.625 1.00 37.56 ATOM 1709 O SER 249 9.76649.357 −11.653 1.00 43.92 ATOM 1710 CB SER 249 10.740 50.194 −8.784 1.0043.78 ATOM 1711 OG SER 249 11.184 49.896 −7.473 1.00 57.17 ATOM 1712 NALA 250 8.075 50.357 −10.598 1.00 36.21 ATOM 1713 CA ALA 250 7.63751.113 −11.743 1.00 34.75 ATOM 1714 C ALA 250 8.476 52.369 −11.719 1.0036.51 ATOM 1715 O ALA 250 8.838 52.865 −10.661 1.00 45.60 ATOM 1716 CBALA 250 6.182 51.465 −11.612 1.00 37.23 ATOM 1717 N TYR 251 8.773 52.909−12.886 1.00 35.78 ATOM 1718 CA TYR 251 9.763 53.968 −12.989 1.00 31.65ATOM 1719 C TYR 251 9.449 54.882 −14.175 1.00 34.60 ATOM 1720 O TYR 2519.086 54.400 −15.231 1.00 39.05 ATOM 1721 CB TYR 251 11.155 53.318−13.140 1.00 33.30 ATOM 1722 CG TYR 251 12.262 54.313 −13.345 1.00 33.98ATOM 1723 CD1 TYR 251 12.662 55.157 −12.309 1.00 37.10 ATOM 1724 CD2 TYR251 12.910 54.414 −14.566 1.00 39.17 ATOM 1725 CE1 TYR 251 13.679 56.080−12.486 1.00 38.91 ATOM 1726 CE2 TYR 251 13.936 55.326 −14.754 1.0046.69 ATOM 1727 CZ TYR 251 14.314 56.152 −13.715 1.00 46.28 ATOM 1728 OHTYR 251 15.317 57.062 −13.900 1.00 60.47 ATOM 1729 N ALA 252 9.56956.196 −14.002 1.00 37.22 ATOM 1730 CA ALA 252 9.398 57.099 −15.124 1.0031.12 ATOM 1731 C ALA 252 10.255 58.324 −14.985 1.00 37.45 ATOM 1732 OALA 252 10.575 58.740 −13.878 1.00 37.06 ATOM 1733 CB ALA 252 7.95657.501 −15.300 1.00 32.57 ATOM 1734 N TYR 253 10.622 58.943 −16.098 1.0029.71 ATOM 1735 CA TYR 253 11.326 60.221 −15.963 1.00 39.30 ATOM 1736 CTYR 253 11.165 61.127 −17.156 1.00 36.10 ATOM 1737 O TYR 253 10.96360.680 −18.277 1.00 40.44 ATOM 1738 CB TYR 253 12.824 59.989 −15.6611.00 46.73 ATOM 1739 CG TYR 253 13.734 59.833 −16.858 1.00 49.56 ATOM1740 CD1 TYR 253 13.812 58.756 −17.504 1.00 56.37 ATOM 1741 CD2 TYR 25314.537 60.749 −17.280 1.00 65.68 ATOM 1742 CE1 TYR 253 14.640 58.593−18.575 1.00 75.03 ATOM 1743 CE2 TYR 253 15.363 60.567 −18.365 1.0078.78 ATOM 1744 CZ TYR 253 15.421 59.488 −19.013 1.00 93.20 ATOM 1745 OHTYR 253 16.262 59.296 −20.105 1.00 0.44 ATOM 1746 ZN ZN2 258 −1.42148.564 −9.888 1.00 71.07 ATOM 1747 N ASN 15 0.218 68.205 −22.240 1.000.61 ATOM 1748 CA ASN 15 0.186 66.763 −22.018 1.00 0.98 ATOM 1749 C ASN15 1.535 66.056 −21.874 1.00 0.70 ATOM 1750 O ASN 15 1.568 64.870−21.554 1.00 0.18 ATOM 1751 CB ASN 15 −0.630 66.078 −23.111 1.00 0.60ATOM 1752 CG ASN 15 −1.982 65.612 −22.621 1.00 0.45 ATOM 1753 OD1 ASN 15−2.111 65.105 −21.513 1.00 0.18 ATOM 1754 ND2 ASN 15 −2.995 65.765−23.454 1.00 0.78 ATOM 1755 N LEU 16 2.627 66.773 −22.133 1.00 94.87ATOM 1756 CA LEU 16 4.002 66.286 −21.882 1.00 68.59 ATOM 1757 C LEU 164.304 64.808 −22.181 1.00 62.20 ATOM 1758 O LEU 16 3.765 63.905 −21.5371.00 47.59 ATOM 1759 CB LEU 16 4.440 66.637 −20.458 1.00 58.51 ATOM 1760CG LEU 16 5.071 68.020 −20.284 1.00 71.98 ATOM 1761 CD1 LEU 16 4.16669.098 −20.815 1.00 95.09 ATOM 1762 CD2 LEU 16 5.387 68.282 −18.826 1.0066.90 ATOM 1763 N PRO 17 5.172 64.564 −23.174 1.00 59.11 ATOM 1764 CAPRO 17 5.692 63.215 −23.383 1.00 56.32 ATOM 1765 C PRO 17 6.546 62.821−22.172 1.00 53.83 ATOM 1766 O PRO 17 7.090 63.692 −21.490 1.00 55.40ATOM 1767 CB PRO 17 6.593 63.362 −24.615 1.00 49.67 ATOM 1768 CG PRO 176.313 64.690 −25.173 1.00 57.25 ATOM 1769 CD PRO 17 5.780 65.540 −24.0871.00 51.52 ATOM 1770 N ILE 18 6.635 61.527 −21.898 1.00 44.93 ATOM 1771CA ILE 18 7.572 61.029 −20.914 1.00 40.29 ATOM 1772 C ILE 18 8.72960.321 −21.625 1.00 42.04 ATOM 1773 O ILE 18 8.521 59.377 −22.379 1.0043.41 ATOM 1774 CB ILE 18 6.889 60.101 −19.902 1.00 38.13 ATOM 1775 CG1ILE 18 5.875 60.877 −19.075 1.00 45.13 ATOM 1776 CG2 ILE 18 7.929 59.461−18.976 1.00 48.42 ATOM 1777 CD1 ILE 18 4.852 60.013 −18.363 1.00 47.95ATOM 1778 N ASN 19 9.946 60.803 −21.377 1.00 38.56 ATOM 1779 CA ASN 1911.151 60.265 −22.005 1.00 45.65 ATOM 1780 C ASN 19 11.296 58.752−21.879 1.00 49.75 ATOM 1781 O ASN 19 11.592 58.067 −22.855 1.00 53.42ATOM 1782 CB ASN 19 12.407 60.935 −21.440 1.00 48.95 ATOM 1783 CG ASN 1912.450 62.410 −21.714 1.00 54.49 ATOM 1784 OD1 ASN 19 13.260 62.892−22.513 1.00 68.59 ATOM 1785 ND2 ASN 19 11.586 63.141 −21.048 1.00 35.74ATOM 1786 N GLN 20 11.101 58.241 −20.671 1.00 46.80 ATOM 1787 CA GLN 2011.192 56.807 −20.435 1.00 38.04 ATOM 1788 C GLN 20 10.243 56.403−19.325 1.00 38.60 ATOM 1789 O GLN 20 10.218 57.007 −18.259 1.00 41.07ATOM 1790 CB GLN 20 12.635 56.383 −20.038 1.00 33.85 ATOM 1791 CG GLN 2013.749 56.734 −21.029 1.00 34.91 ATOM 1792 CD GLN 20 13.680 55.963−22.344 1.00 56.22 ATOM 1793 OE1 GLN 20 13.058 54.904 −22.429 1.00 49.36ATOM 1794 NE2 GLN 20 14.322 56.501 −23.380 1.00 56.75 ATOM 1795 N VAL 219.461 55.371 −19.574 1.00 37.98 ATOM 1796 CA VAL 21 8.625 54.813 −18.5321.00 36.09 ATOM 1797 C VAL 21 8.640 53.314 −18.683 1.00 49.71 ATOM 1798O VAL 21 8.605 52.800 −19.800 1.00 43.59 ATOM 1799 CB VAL 21 7.17655.332 −18.615 1.00 47.00 ATOM 1800 CG1 VAL 21 6.612 55.089 −19.972 1.0042.94 ATOM 1801 CG2 VAL 21 6.292 54.635 −17.580 1.00 46.40 ATOM 1802 NGLY 22 8.703 52.616 −17.556 1.00 43.61 ATOM 1803 CA GLY 22 8.784 51.173−17.557 1.00 35.97 ATOM 1804 C GLY 22 9.120 50.661 −16.173 1.00 42.16ATOM 1805 O GLY 22 8.507 51.064 −15.177 1.00 41.03 ATOM 1806 N ILE 2310.092 49.757 −16.107 1.00 27.58 ATOM 1807 CA ILE 23 10.433 49.117−14.851 1.00 28.73 ATOM 1808 C ILE 23 11.926 49.234 −14.573 1.00 34.99ATOM 1809 O ILE 23 12.750 49.357 −15.484 1.00 36.46 ATOM 1810 CB ILE 2310.049 47.609 −14.835 1.00 37.25 ATOM 1811 CG1 ILE 23 10.915 46.827−15.823 1.00 43.10 ATOM 1812 CG2 ILE 23 8.530 47.392 −15.108 1.00 33.88ATOM 1813 CD1 ILE 23 10.871 45.338 −15.634 1.00 54.70 ATOM 1814 N THR 4812.474 50.488 −20.323 1.00 29.81 ATOM 1815 CA THR 48 11.604 51.653−20.402 1.00 30.70 ATOM 1816 C THR 48 11.352 51.979 −21.873 1.00 42.96ATOM 1817 O THR 48 12.134 51.579 −22.746 1.00 36.92 ATOM 1818 CB THR 4812.283 52.868 −19.734 1.00 49.92 ATOM 1819 OG1 THR 48 13.497 53.165−20.433 1.00 50.87 ATOM 1820 CG2 THR 48 12.627 52.597 −18.233 1.00 36.60ATOM 1821 N VAL 49 10.263 52.695 −22.139 1.00 39.32 ATOM 1822 CA VAL 499.940 53.162 −23.485 1.00 40.47 ATOM 1823 C VAL 49 9.428 54.590 −23.4291.00 47.31 ATOM 1824 O VAL 49 8.994 55.065 −22.393 1.00 39.62 ATOM 1825CB VAL 49 8.827 52.307 −24.190 1.00 39.46 ATOM 1826 CG1 VAL 49 9.25250.874 −24.353 1.00 38.61 ATOM 1827 CG2 VAL 49 7.464 52.427 −23.453 1.0032.61 ATOM 1828 N TYR 50 9.472 55.258 −24.568 1.00 48.54 ATOM 1829 CATYR 50 8.939 56.601 −24.720 1.00 42.54 ATOM 1830 C TYR 50 7.415 56.585−24.665 1.00 38.18 ATOM 1831 O TYR 50 6.765 55.732 −25.274 1.00 59.47ATOM 1832 CB TYR 50 9.421 57.166 −26.063 1.00 48.65 ATOM 1833 CG TYR 508.877 58.521 −26.439 1.00 46.41 ATOM 1834 CD1 TYR 50 9.495 59.690−26.002 1.00 48.12 ATOM 1835 CD2 TYR 50 7.780 58.635 −27.288 1.00 45.63ATOM 1836 CE1 TYR 50 9.005 60.940 −26.369 1.00 49.82 ATOM 1837 CE2 TYR50 7.282 59.873 −27.658 1.00 64.78 ATOM 1838 CZ TYR 50 7.891 61.024−27.200 1.00 66.95 ATOM 1839 OH TYR 50 7.378 62.253 −27.576 1.00 63.72ATOM 1840 N LEU 51 6.845 57.529 −23.925 1.00 41.19 ATOM 1841 CA LEU 515.392 57.641 −23.852 1.00 45.35 ATOM 1842 C LEU 51 4.944 58.964 −24.4771.00 59.79 ATOM 1843 O LEU 51 5.234 60.032 −23.953 1.00 57.86 ATOM 1844CB LEU 51 4.903 57.505 −22.407 1.00 41.63 ATOM 1845 CG LEU 51 3.39057.336 −22.268 1.00 57.45 ATOM 1846 CD1 LEU 51 3.024 55.982 −22.804 1.0053.37 ATOM 1847 CD2 LEU 51 2.896 57.505 −20.817 1.00 46.74 ATOM 1848 NPRO 52 4.252 58.887 −25.620 1.00 50.41 ATOM 1849 CA PRO 52 3.698 60.053−26.327 1.00 60.78 ATOM 1850 C PRO 52 2.845 60.936 −25.412 1.00 55.59ATOM 1851 O PRO 52 2.252 60.441 −24.464 1.00 45.38 ATOM 1852 CB PRO 522.799 59.418 −27.398 1.00 51.53 ATOM 1853 CG PRO 52 3.307 58.019 −27.5601.00 54.38 ATOM 1854 CD PRO 52 3.795 57.616 −26.204 1.00 47.05 ATOM 1855N ALA 53 2.787 62.230 −25.706 1.00 65.72 ATOM 1856 CA ALA 53 2.04663.188 −24.882 1.00 66.94 ATOM 1857 C ALA 53 0.629 62.747 −24.490 1.0071.17 ATOM 1858 O ALA 53 0.223 62.913 −23.341 1.00 71.46 ATOM 1859 CBALA 53 1.998 64.543 −25.564 1.00 66.90 ATOM 1860 N GLU 54 −0.130 62.183−25.424 1.00 75.20 ATOM 1861 CA GLU 54 −1.535 61.918 −25.120 1.00 0.50ATOM 1862 C GLU 54 −1.871 60.457 −24.827 1.00 90.42 ATOM 1863 O GLU 54−3.039 60.090 −24.744 1.00 95.12 ATOM 1864 CB GLU 54 −2.466 62.524−26.176 1.00 0.71 ATOM 1865 CG GLU 54 −2.722 61.670 −27.397 1.00 0.20ATOM 1866 CD GLU 54 −3.621 62.371 −28.398 1.00 0.17 ATOM 1867 OE1 GLU 54−3.217 63.435 −28.908 1.00 0.84 ATOM 1868 OE2 GLU 54 −4.728 61.864−28.672 1.00 0.50 ATOM 1869 N GLN 55 −0.845 59.632 −24.656 1.00 78.83ATOM 1870 CA GLN 55 −1.035 58.296 −24.104 1.00 68.58 ATOM 1871 C GLN 55−0.918 58.434 −22.589 1.00 58.44 ATOM 1872 O GLN 55 0.009 59.070 −22.0921.00 65.77 ATOM 1873 CB GLN 55 0.011 57.321 −24.658 1.00 58.13 ATOM 1874CG GLN 55 −0.321 55.844 −24.474 1.00 67.08 ATOM 1875 CD GLN 55 0.67254.929 −25.189 1.00 79.71 ATOM 1876 OE1 GLN 55 1.214 55.285 −26.235 1.0088.70 ATOM 1877 NE2 GLN 55 0.912 53.744 −24.625 1.00 63.58 ATOM 1878 NLYS 56 −1.859 57.855 −21.852 1.00 61.67 ATOM 1879 CA LYS 56 −1.92158.061 −20.410 1.00 65.88 ATOM 1880 C LYS 56 −0.919 57.196 −19.648 1.0073.54 ATOM 1881 O LYS 56 −0.438 57.584 −18.578 1.00 73.26 ATOM 1882 CBLYS 56 −3.326 57.788 −19.872 1.00 88.06 ATOM 1883 CG LYS 56 −3.41357.858 −18.349 1.00 0.53 ATOM 1884 CD LYS 56 −4.837 57.649 −17.847 1.000.29 ATOM 1885 CE LYS 56 −5.261 56.190 −17.948 1.00 0.17 ATOM 1886 NZLYS 56 −6.636 55.973 −17.419 1.00 0.56 ATOM 1887 N GLY 57 −0.613 56.025−20.205 1.00 63.39 ATOM 1888 CA GLY 57 0.166 55.011 −19.520 1.00 60.23ATOM 1889 C GLY 57 0.775 53.992 −20.465 1.00 67.31 ATOM 1890 O GLY 570.404 53.894 −21.628 1.00 65.95 ATOM 1891 N THR 58 1.747 53.243 −19.9641.00 71.54 ATOM 1892 CA THR 58 2.338 52.164 −20.736 1.00 72.16 ATOM 1893C THR 58 1.743 50.862 −20.216 1.00 61.69 ATOM 1894 O THR 58 0.837 50.885−19.387 1.00 61.90 ATOM 1895 CB THR 58 3.879 52.159 −20.619 1.00 69.56ATOM 1896 OG1 THR 58 4.439 51.312 −21.629 1.00 79.35 ATOM 1897 CG2 THR58 4.316 51.680 −19.244 1.00 68.68 ATOM 1898 N HIS 59 2.246 49.729−20.695 1.00 71.58 ATOM 1899 CA HIS 59 1.724 48.439 −20.259 1.00 69.19ATOM 1900 C HIS 59 2.798 47.698 −19.487 1.00 62.91 ATOM 1901 O HIS 593.641 47.023 −20.075 1.00 74.03 ATOM 1902 CB HIS 59 1.246 47.636 −21.4661.00 67.89 ATOM 1903 CG HIS 59 0.355 48.414 −22.386 1.00 73.78 ATOM 1904ND1 HIS 59 0.848 49.209 −23.406 1.00 79.21 ATOM 1905 CD2 HIS 59 −0.98848.533 −22.440 1.00 74.77 ATOM 1906 CE1 HIS 59 −0.155 49.769 −24.0491.00 81.43 ATOM 1907 NE2 HIS 59 −1.283 49.378 −23.482 1.00 82.11 ATOM1908 N MSE 60 2.754 47.824 −18.164 1.00 69.20 ATOM 1909 CA MSE 60 3.88947.455 −17.308 1.00 64.49 ATOM 1910 C MSE 60 4.271 45.977 −17.333 1.0057.44 ATOM 1911 O MSE 60 5.453 45.628 −17.259 1.00 55.33 ATOM 1912 CBMSE 60 3.626 47.895 −15.866 1.00 68.93 ATOM 1913 CG MSE 60 3.645 49.405−15.670 1.00 88.07 ATOM 1914 SE MSE 60 5.452 50.209 −15.726 1.00 90.92ATOM 1915 CE MSE 60 4.956 52.073 −15.352 1.00 91.55 ATOM 1916 N SER 613.265 45.114 −17.436 1.00 49.65 ATOM 1917 CA SER 61 3.490 43.667 −17.3841.00 52.54 ATOM 1918 C SER 61 4.202 43.098 −18.627 1.00 57.67 ATOM 1919O SER 61 4.824 42.040 −18.555 1.00 63.02 ATOM 1920 CB SER 61 2.15842.931 −17.127 1.00 60.89 ATOM 1921 OG SER 61 1.418 42.821 −18.313 1.0063.53 ATOM 1922 N ARG 62 4.112 43.796 −19.757 1.00 58.58 ATOM 1923 CAARG 62 4.804 43.363 −20.970 1.00 54.99 ATOM 1924 C ARG 62 6.330 43.332−20.816 1.00 47.98 ATOM 1925 O ARG 62 6.992 42.462 −21.385 1.00 58.75ATOM 1926 CB ARG 62 4.407 44.222 −22.169 1.00 48.24 ATOM 1927 CG ARG 622.980 44.013 −22.584 1.00 54.45 ATOM 1928 CD ARG 62 2.567 45.010 −23.6631.00 53.24 ATOM 1929 NE ARG 62 1.122 45.035 −23.836 1.00 68.95 ATOM 1930CZ ARG 62 0.492 45.679 −24.808 1.00 67.76 ATOM 1931 NH1 ARG 62 1.18646.343 −25.719 1.00 58.36 ATOM 1932 NH2 ARG 62 −0.838 45.649 −24.8691.00 72.93 ATOM 1933 N PHE 63 6.879 44.274 −20.049 1.00 45.59 ATOM 1934CA PHE 63 8.317 44.301 −19.800 1.00 51.33 ATOM 1935 C PHE 63 8.78842.986 −19.200 1.00 57.30 ATOM 1936 O PHE 63 9.781 42.396 −19.641 1.0055.44 ATOM 1937 CB PHE 63 8.688 45.451 −18.866 1.00 49.40 ATOM 1938 CGPHE 63 8.439 46.793 −19.449 1.00 44.13 ATOM 1939 CD1 PHE 63 9.233 47.270−20.474 1.00 41.09 ATOM 1940 CD2 PHE 63 7.394 47.573 −18.995 1.00 50.77ATOM 1941 CE1 PHE 63 9.008 48.509 −21.018 1.00 39.25 ATOM 1942 CE2 PHE63 7.161 48.820 −19.543 1.00 57.73 ATOM 1943 CZ PHE 63 7.977 49.295−20.546 1.00 41.41 ATOM 1944 N VAL 64 8.065 42.540 −18.180 1.00 47.97ATOM 1945 CA VAL 64 8.375 41.278 −17.524 1.00 55.02 ATOM 1946 C VAL 648.125 40.094 −18.472 1.00 53.37 ATOM 1947 O VAL 64 9.000 39.244 −18.6481.00 45.07 ATOM 1948 CB VAL 64 7.537 41.103 −16.238 1.00 69.71 ATOM 1949CG1 VAL 64 7.874 39.786 −15.564 1.00 71.34 ATOM 1950 CG2 VAL 64 7.77042.266 −15.293 1.00 71.51 ATOM 1951 N ALA 65 6.935 40.043 −19.081 1.0043.65 ATOM 1952 CA ALA 65 6.603 38.960 −20.017 1.00 45.85 ATOM 1953 CALA 65 7.693 38.821 −21.074 1.00 55.77 ATOM 1954 O ALA 65 8.040 37.716−21.480 1.00 62.71 ATOM 1955 CB ALA 65 5.251 39.210 −20.673 1.00 51.78ATOM 1956 N LEU 66 8.246 39.951 −21.498 1.00 48.51 ATOM 1957 CA LEU 669.263 39.949 −22.523 1.00 43.71 ATOM 1958 C LEU 66 10.473 39.169 −22.0121.00 59.09 ATOM 1959 O LEU 66 11.024 38.322 −22.717 1.00 63.51 ATOM 1960CB LEU 66 9.645 41.382 −22.900 1.00 57.57 ATOM 1961 CG LEU 66 10.72041.475 −23.984 1.00 65.50 ATOM 1962 CD1 LEU 66 10.131 41.113 −25.3311.00 62.26 ATOM 1963 CD2 LEU 66 11.344 42.854 −24.030 1.00 66.51 ATOM1964 N MSE 67 10.863 39.435 −20.768 1.00 56.08 ATOM 1965 CA MSE 6711.995 38.730 −20.156 1.00 50.31 ATOM 1966 C MSE 67 11.739 37.245−19.931 1.00 57.07 ATOM 1967 O MSE 67 12.615 36.424 −20.190 1.00 56.89ATOM 1968 CB MSE 67 12.389 39.382 −18.829 1.00 60.46 ATOM 1969 CG MSE 6713.175 40.665 −19.002 1.00 70.04 ATOM 1970 SE MSE 67 14.532 40.440−20.393 1.00 0.01 ATOM 1971 CE MSE 67 15.381 42.197 −20.260 1.00 0.53ATOM 1972 N GLU 68 10.548 36.900 −19.437 1.00 43.15 ATOM 1973 CA GLU 6810.235 35.514 −19.126 1.00 52.89 ATOM 1974 C GLU 68 10.264 34.643−20.374 1.00 66.07 ATOM 1975 O GLU 68 10.597 33.455 −20.312 1.00 65.29ATOM 1976 CB GLU 68 8.854 35.414 −18.459 1.00 60.06 ATOM 1977 CG GLU 688.743 36.180 −17.138 1.00 77.68 ATOM 1978 CD GLU 68 9.549 35.547 −16.0071.00 95.66 ATOM 1979 OE1 GLU 68 10.258 34.545 −16.254 1.00 95.42 ATOM1980 OE2 GLU 68 9.472 36.052 −14.866 1.00 0.24 ATOM 1981 N GLN 69 9.91635.245 −21.507 1.00 80.73 ATOM 1982 CA GLN 69 9.751 34.495 −22.744 1.0093.63 ATOM 1983 C GLN 69 11.061 34.321 −23.493 1.00 89.35 ATOM 1984 OGLN 69 11.165 33.485 −24.386 1.00 94.28 ATOM 1985 CB GLN 69 8.735 35.176−23.655 1.00 0.97 ATOM 1986 CG GLN 69 8.083 34.221 −24.639 1.00 0.88ATOM 1987 CD GLN 69 7.454 34.936 −25.812 1.00 0.36 ATOM 1988 OE1 GLN 697.850 36.048 −26.162 1.00 0.96 ATOM 1989 NE2 GLN 69 6.471 34.297 −26.4331.00 0.47 ATOM 1990 N HIS 70 12.059 35.114 −23.128 1.00 87.50 ATOM 1991CA HIS 70 13.355 35.066 −23.793 1.00 91.35 ATOM 1992 C HIS 70 14.37334.251 −22.988 1.00 93.16 ATOM 1993 O HIS 70 14.977 34.751 −22.039 1.000.23 ATOM 1994 CB HIS 70 13.849 36.491 −24.045 1.00 0.10 ATOM 1995 CGHIS 70 15.339 36.630 −24.061 1.00 0.47 ATOM 1996 ND1 HIS 70 16.08636.773 −22.911 1.00 0.14 ATOM 1997 CD2 HIS 70 16.218 36.673 −25.089 1.000.88 ATOM 1998 CE1 HIS 70 17.365 36.882 −23.229 1.00 0.10 ATOM 1999 NE2HIS 70 17.471 36.829 −24.544 1.00 0.29 ATOM 2000 N ALA 84 14.585 45.967−29.802 1.00 39.91 ATOM 2001 CA ALA 84 13.671 46.186 −30.913 1.00 51.43ATOM 2002 C ALA 84 12.362 45.463 −30.642 1.00 49.14 ATOM 2003 O ALA 8411.285 46.009 −30.853 1.00 53.26 ATOM 2004 CB ALA 84 14.281 45.707−32.223 1.00 36.81 ATOM 2005 N GLU 85 12.470 44.232 −30.156 1.00 43.56ATOM 2006 CA GLU 85 11.296 43.422 −29.859 1.00 48.49 ATOM 2007 C GLU 8510.448 44.096 −28.778 1.00 46.67 ATOM 2008 O GLU 85 9.222 44.003 −28.7851.00 56.68 ATOM 2009 CB GLU 85 11.724 42.022 −29.434 1.00 49.28 ATOM2010 CG GLU 85 10.587 41.034 −29.353 1.00 80.44 ATOM 2011 CD GLU 8511.069 39.600 −29.385 1.00 0.75 ATOM 2012 OE1 GLU 85 12.298 39.399−29.519 1.00 0.01 ATOM 2013 OE2 GLU 85 10.223 38.680 −29.283 1.00 0.82ATOM 2014 N MSE 86 11.110 44.803 −27.866 1.00 40.52 ATOM 2015 CA MSE 8610.417 45.484 −26.786 1.00 39.51 ATOM 2016 C MSE 86 9.631 46.703 −27.2351.00 44.35 ATOM 2017 O MSE 86 8.460 46.850 −26.896 1.00 50.93 ATOM 2018CB MSE 86 11.365 45.906 −25.682 1.00 40.42 ATOM 2019 CG MSE 86 10.70846.867 −24.705 1.00 48.85 ATOM 2020 SE MSE 86 11.954 47.555 −23.380 1.0071.76 ATOM 2021 CE MSE 86 12.844 48.922 −24.467 1.00 36.65 ATOM 2022 NVAL 87 10.277 47.597 −27.972 1.00 44.35 ATOM 2023 CA VAL 87 9.589 48.791−28.442 1.00 45.24 ATOM 2024 C VAL 87 8.398 48.392 −29.329 1.00 44.79ATOM 2025 O VAL 87 7.382 49.081 −29.339 1.00 48.45 ATOM 2026 CB VAL 8710.508 49.762 −29.222 1.00 49.52 ATOM 2027 CG1 VAL 87 11.666 50.235−28.352 1.00 37.17 ATOM 2028 CG2 VAL 87 11.008 49.119 −30.499 1.00 53.31ATOM 2029 N ALA 88 8.534 47.286 −30.061 1.00 37.50 ATOM 2030 CA ALA 887.456 46.797 −30.916 1.00 51.61 ATOM 2031 C ALA 88 6.339 46.279 −30.0581.00 56.02 ATOM 2032 O ALA 88 5.185 46.591 −30.295 1.00 63.47 ATOM 2033CB ALA 88 7.943 45.700 −31.853 1.00 50.46 ATOM 2034 N LEU 89 6.69745.497 −29.047 1.00 57.64 ATOM 2035 CA LEU 89 5.730 44.891 −28.124 1.0059.78 ATOM 2036 C LEU 89 4.942 45.934 −27.315 1.00 53.97 ATOM 2037 O LEU89 3.743 45.804 −27.119 1.00 56.91 ATOM 2038 CB LEU 89 6.451 43.923−27.181 1.00 57.63 ATOM 2039 CG LEU 89 5.628 43.249 −26.094 1.00 56.32ATOM 2040 CD1 LEU 89 4.718 42.207 −26.716 1.00 42.44 ATOM 2041 CD2 LEU89 6.536 42.615 −25.055 1.00 61.18 ATOM 2042 N LEU 90 5.612 46.970−26.837 1.00 54.16 ATOM 2043 CA LEU 90 4.924 48.025 −26.111 1.00 63.18ATOM 2044 C LEU 90 4.361 49.102 −27.032 1.00 67.68 ATOM 2045 O LEU 903.870 50.131 −26.575 1.00 65.17 ATOM 2046 CB LEU 90 5.844 48.634 −25.0651.00 54.20 ATOM 2047 CG LEU 90 5.801 47.751 −23.824 1.00 61.73 ATOM 2048CD1 LEU 90 7.055 46.902 −23.699 1.00 41.72 ATOM 2049 CD2 LEU 90 5.59548.601 −22.601 1.00 75.98 ATOM 2050 N ASP 91 4.432 48.848 −28.332 1.0062.55 ATOM 2051 CA ASP 91 3.870 49.748 −29.329 1.00 74.29 ATOM 2052 CASP 91 4.407 51.167 −29.159 1.00 64.93 ATOM 2053 O ASP 91 3.634 52.107−29.035 1.00 56.16 ATOM 2054 CB ASP 91 2.333 49.752 −29.242 1.00 84.05ATOM 2055 CG ASP 91 1.698 48.481 −29.813 1.00 0.91 ATOM 2056 OD1 ASP 912.435 47.619 −30.332 1.00 0.11 ATOM 2057 OD2 ASP 91 0.456 48.347 −29.7531.00 98.46 ATOM 2058 N SER 92 5.730 51.321 −29.156 1.00 57.68 ATOM 2059CA SER 92 6.349 52.629 −28.929 1.00 40.55 ATOM 2060 C SER 92 7.43253.000 −29.952 1.00 52.93 ATOM 2061 O SER 92 7.981 52.142 −30.636 1.0058.12 ATOM 2062 CB SER 92 6.909 52.689 −27.509 1.00 47.88 ATOM 2063 OGSER 92 7.480 53.952 −27.226 1.00 53.37 ATOM 2064 N ARG 93 7.744 54.290−30.016 1.00 53.73 ATOM 2065 CA ARG 93 8.714 54.864 −30.946 1.00 47.19ATOM 2066 C ARG 93 10.185 54.689 −30.507 1.00 61.56 ATOM 2067 O ARG 9311.110 54.745 −31.327 1.00 57.47 ATOM 2068 CB ARG 93 8.417 56.357−31.073 1.00 57.38 ATOM 2069 CG ARG 93 9.157 57.076 −32.169 1.00 80.07ATOM 2070 CD ARG 93 8.893 58.577 −32.098 1.00 91.35 ATOM 2071 NE ARG 939.315 59.154 −30.822 1.00 84.96 ATOM 2072 CZ ARG 93 10.584 59.361−30.474 1.00 95.02 ATOM 2073 NH1 ARG 93 11.571 59.029 −31.296 1.00 95.51ATOM 2074 NH2 ARG 93 10.872 59.893 −29.297 1.00 81.77 ATOM 2075 N ALA 9410.396 54.497 −29.210 1.00 48.21 ATOM 2076 CA ALA 94 11.749 54.469−28.642 1.00 54.64 ATOM 2077 C ALA 94 11.768 53.778 −27.293 1.00 43.02ATOM 2078 O ALA 94 10.722 53.561 −26.681 1.00 51.06 ATOM 2079 CB ALA 9412.297 55.883 −28.505 1.00 43.30 ATOM 2080 N GLY 95 12.966 53.446−26.817 1.00 49.26 ATOM 2081 CA GLY 95 13.115 52.824 −25.518 1.00 35.71ATOM 2082 C GLY 95 14.522 52.335 −25.225 1.00 55.15 ATOM 2083 O GLY 9515.394 52.348 −26.092 1.00 48.14 TER ENDMDL

TABLE 11 ATOM 1 N LYS 106 10.392 70.600 9.408 1.00 39.71 ATOM 2 CA LYS106 9.306 70.423 10.391 1.00 42.95 ATOM 3 C LYS 106 7.939 70.297 9.7361.00 43.79 ATOM 4 O LYS 106 7.463 71.233 9.099 1.00 44.80 ATOM 5 CB LYS106 9.305 71.577 11.392 1.00 43.80 ATOM 6 CG LYS 106 8.686 71.208 12.7481.00 48.36 ATOM 7 CD LYS 106 9.747 71.087 13.838 1.00 53.64 ATOM 8 CELYS 106 9.171 70.635 15.168 1.00 55.97 ATOM 9 NZ LYS 106 8.461 69.30315.127 1.00 59.34 ATOM 10 N LYS 107 7.304 69.138 9.880 1.00 44.36 ATOM11 CA LYS 107 5.973 68.949 9.312 1.00 44.70 ATOM 12 C LYS 107 4.89868.958 10.414 1.00 45.13 ATOM 13 O LYS 107 5.213 68.843 11.615 1.0044.87 ATOM 14 CB LYS 107 5.919 67.670 8.473 1.00 44.28 ATOM 15 CG LYS107 7.016 67.604 7.384 1.00 43.47 ATOM 16 CD LYS 107 6.748 66.456 6.4231.00 41.18 ATOM 17 CE LYS 107 5.476 66.755 5.604 1.00 42.21 ATOM 18 NZLYS 107 5.334 65.886 4.400 1.00 40.46 ATOM 19 N THR 108 3.641 69.1149.996 1.00 45.84 ATOM 20 CA THR 108 2.494 69.116 10.901 1.00 46.81 ATOM21 C THR 108 1.453 68.111 10.397 1.00 47.68 ATOM 22 O THR 108 1.12368.099 9.198 1.00 47.71 ATOM 23 CB THR 108 1.900 70.564 11.037 1.0047.35 ATOM 24 OG1 THR 108 2.963 71.502 11.302 1.00 47.19 ATOM 25 CG2 THR108 0.851 70.649 12.172 1.00 47.03 ATOM 26 N ALA 109 0.950 67.260 11.2991.00 48.80 ATOM 27 CA ALA 109 −0.043 66.235 10.948 1.00 50.14 ATOM 28 CALA 109 −1.364 66.869 10.468 1.00 51.03 ATOM 29 O ALA 109 −1.770 67.91611.004 1.00 51.15 ATOM 30 CB ALA 109 −0.284 65.278 12.127 1.00 50.35ATOM 31 N PRO 110 −2.009 66.268 9.427 1.00 51.43 ATOM 32 CA PRO 110−3.180 66.907 8.859 1.00 51.94 ATOM 33 C PRO 110 −4.394 67.037 9.7981.00 52.99 ATOM 34 O PRO 110 −5.175 67.962 9.609 1.00 52.84 ATOM 35 CBPRO 110 −3.517 66.029 7.639 1.00 51.48 ATOM 36 CG PRO 110 −2.880 64.7677.863 1.00 51.48 ATOM 37 CD PRO 110 −1.654 65.036 8.684 1.00 51.45 ATOM38 N VAL 111 −4.578 66.145 10.780 1.00 53.92 ATOM 39 CA VAL 111 −5.75666.302 11.660 1.00 55.03 ATOM 40 C VAL 111 −5.429 66.827 13.057 1.0055.25 ATOM 41 O VAL 111 −5.957 67.878 13.469 1.00 55.19 ATOM 42 CB VAL111 −6.709 65.062 11.692 1.00 55.46 ATOM 43 CG1 VAL 111 −7.959 65.35112.557 1.00 54.84 ATOM 44 CG2 VAL 111 −7.125 64.682 10.262 1.00 55.47ATOM 45 N SER 112 −4.559 66.102 13.764 1.00 55.19 ATOM 46 CA SER 112−4.113 66.499 15.099 1.00 55.31 ATOM 47 C SER 112 −3.377 67.852 15.1581.00 54.97 ATOM 48 O SER 112 −3.518 68.577 16.147 1.00 54.91 ATOM 49 CBSER 112 −3.256 65.399 15.742 1.00 55.47 ATOM 50 OG SER 112 −2.087 65.12114.963 1.00 56.21 ATOM 51 N GLY 113 −2.614 68.189 14.106 1.00 54.62 ATOM52 CA GLY 113 −1.646 69.315 14.149 1.00 53.64 ATOM 53 C GLY 113 −0.35569.022 14.943 1.00 53.03 ATOM 54 O GLY 113 0.471 69.929 15.166 1.0052.84 ATOM 55 N ILE 114 −0.174 67.772 15.384 1.00 52.24 ATOM 56 CA ILE114 1.092 67.361 16.020 1.00 52.01 ATOM 57 C ILE 114 2.254 67.467 14.9921.00 51.48 ATOM 58 O ILE 114 2.100 67.114 13.808 1.00 50.80 ATOM 59 CBILE 114 1.024 65.935 16.667 1.00 52.23 ATOM 60 CG1 ILE 114 −0.088 65.85117.722 1.00 53.68 ATOM 61 CG2 ILE 114 2.337 65.584 17.370 1.00 51.30ATOM 62 CD1 ILE 114 −0.418 64.414 18.174 1.00 53.39 ATOM 63 N ARG 1153.393 67.989 15.450 1.00 50.22 ATOM 64 CA ARG 115 4.520 68.263 14.5761.00 49.39 ATOM 65 C ARG 115 5.561 67.156 14.723 1.00 47.82 ATOM 66 OARG 115 5.733 66.586 15.820 1.00 46.47 ATOM 67 CB ARG 115 5.159 69.62514.893 1.00 50.41 ATOM 68 CG ARG 115 4.234 70.839 14.773 1.00 53.80 ATOM69 CD ARG 115 4.782 71.939 15.657 1.00 58.84 ATOM 70 NE ARG 115 5.55072.917 14.885 1.00 64.83 ATOM 71 CZ ARG 115 6.714 73.450 15.257 1.0061.10 ATOM 72 NH1 ARG 115 7.313 73.074 16.394 1.00 65.93 ATOM 73 NH2 ARG115 7.300 74.341 14.454 1.00 66.59 ATOM 74 N SER 116 6.238 66.869 13.6091.00 45.50 ATOM 75 CA SER 116 7.398 65.999 13.565 1.00 44.28 ATOM 76 CSER 116 8.251 66.377 12.346 1.00 43.63 ATOM 77 O SER 116 7.748 67.05011.418 1.00 43.82 ATOM 78 CB SER 116 6.977 64.524 13.499 1.00 44.12 ATOM79 OG SER 116 6.181 64.263 12.365 1.00 44.28 ATOM 80 N LEU 117 9.51365.929 12.343 1.00 41.18 ATOM 81 CA LEU 117 10.420 66.162 11.222 1.0039.32 ATOM 82 C LEU 117 10.214 65.130 10.135 1.00 38.39 ATOM 83 O LEU117 9.828 64.006 10.421 1.00 37.25 ATOM 84 CB LEU 117 11.869 66.09811.684 1.00 38.72 ATOM 85 CG LEU 117 12.234 67.020 12.841 1.00 38.20ATOM 86 CD1 LEU 117 13.674 66.792 13.245 1.00 37.30 ATOM 87 CD2 LEU 11711.986 68.492 12.494 1.00 37.50 ATOM 88 N PRO 142 10.478 61.583 −0.4791.00 31.78 ATOM 89 CA PRO 142 9.695 60.360 −0.363 1.00 32.72 ATOM 90 CPRO 142 8.237 60.743 −0.204 1.00 34.76 ATOM 91 O PRO 142 7.899 61.6180.638 1.00 35.43 ATOM 92 CB PRO 142 10.240 59.663 0.917 1.00 32.41 ATOM93 CG PRO 142 10.949 60.785 1.722 1.00 32.83 ATOM 94 CD PRO 142 11.04162.043 0.817 1.00 31.61 ATOM 95 N VAL 143 7.390 60.112 −1.006 1.00 34.49ATOM 96 CA VAL 143 5.966 60.332 −0.977 1.00 36.54 ATOM 97 C VAL 1435.257 58.987 −0.907 1.00 37.50 ATOM 98 O VAL 143 5.873 57.931 −1.0101.00 37.31 ATOM 99 CB VAL 143 5.435 61.127 −2.220 1.00 36.15 ATOM 100CG1 VAL 143 6.186 62.446 −2.420 1.00 36.77 ATOM 101 CG2 VAL 143 5.54260.303 −3.443 1.00 35.72 ATOM 102 N THR 144 3.957 59.043 −0.692 1.0040.85 ATOM 103 CA THR 144 3.070 57.890 −0.876 1.00 43.22 ATOM 104 C THR144 2.496 57.940 −2.296 1.00 45.07 ATOM 105 O THR 144 2.017 59.013−2.764 1.00 44.61 ATOM 106 CB THR 144 1.904 57.920 0.137 1.00 43.97 ATOM107 OG1 THR 144 2.430 58.174 1.451 1.00 45.02 ATOM 108 CG2 THR 144 1.09056.604 0.134 1.00 43.92 ATOM 109 N SER 145 2.564 56.789 −2.974 1.0046.62 ATOM 110 CA SER 145 1.899 56.587 −4.274 1.00 48.13 ATOM 111 C SER145 0.841 55.504 −4.119 1.00 48.74 ATOM 112 O SER 145 1.058 54.516−3.417 1.00 48.82 ATOM 113 CB SER 145 2.886 56.201 −5.384 1.00 48.45ATOM 114 OG SER 145 3.671 55.067 −5.036 1.00 50.19 ATOM 115 N LEU 146−0.314 55.720 −4.746 1.00 49.98 ATOM 116 CA LEU 146 −1.427 54.755 −4.7051.00 50.76 ATOM 117 C LEU 146 −1.915 54.476 −6.134 1.00 51.52 ATOM 118 OLEU 146 −2.141 55.419 −6.927 1.00 51.71 ATOM 119 CB LEU 146 −2.56055.248 −3.800 1.00 50.62 ATOM 120 CG LEU 146 −3.742 54.279 −3.605 1.0050.27 ATOM 121 CD1 LEU 146 −4.266 54.208 −2.164 1.00 49.21 ATOM 122 CD2LEU 146 −4.852 54.635 −4.576 1.00 50.20 ATOM 123 N CYS 147 −2.050 53.195−6.469 1.00 51.52 ATOM 124 CA CYS 147 −2.304 52.802 −7.849 1.00 52.46ATOM 125 C CYS 147 −3.773 52.944 −8.331 1.00 53.73 ATOM 126 O CYS 147−4.690 52.294 −7.788 1.00 53.40 ATOM 127 CB CYS 147 −1.804 51.375 −8.0981.00 52.50 ATOM 128 SG CYS 147 −2.131 50.800 −9.803 1.00 51.33 ATOM 129N PRO 148 −3.988 53.744 −9.400 1.00 54.93 ATOM 130 CA PRO 148 −5.37353.975 −9.860 1.00 55.87 ATOM 131 C PRO 148 −6.026 52.699 −10.446 1.0056.77 ATOM 132 O PRO 148 −7.222 52.445 −10.198 1.00 56.68 ATOM 133 CBPRO 148 −5.243 55.099 −10.909 1.00 55.91 ATOM 134 CG PRO 148 −3.77855.216 −11.232 1.00 55.66 ATOM 135 CD PRO 148 −2.970 54.424 −10.237 1.0055.10 ATOM 136 N CYS 149 −5.232 51.900 −11.172 1.00 57.41 ATOM 137 CACYS 149 −5.692 50.637 −11.765 1.00 57.40 ATOM 138 C CYS 149 −6.18549.651 −10.685 1.00 57.29 ATOM 139 O CYS 149 −7.265 49.043 −10.819 1.0056.51 ATOM 140 CB CYS 149 −4.577 50.006 −12.613 1.00 57.61 ATOM 141 SGCYS 149 −5.106 48.508 −13.511 1.00 59.83 ATOM 142 N SER 150 −5.38949.517 −9.621 1.00 57.10 ATOM 143 CA SER 150 −5.755 48.730 −8.438 1.0057.37 ATOM 144 C SER 150 −7.159 49.087 −7.927 1.00 57.54 ATOM 145 O SER150 −8.069 48.243 −7.942 1.00 56.90 ATOM 146 CB SER 150 −4.699 48.908−7.315 1.00 57.56 ATOM 147 OG SER 150 −4.960 48.056 −6.196 1.00 56.24ATOM 148 N LYS 151 −7.325 50.335 −7.480 1.00 58.20 ATOM 149 CA LYS 151−8.614 50.826 −6.980 1.00 58.78 ATOM 150 C LYS 151 −9.768 50.518 −7.9531.00 59.60 ATOM 151 O LYS 151 −10.820 49.980 −7.548 1.00 59.74 ATOM 152CB LYS 151 −8.530 52.335 −6.737 1.00 58.67 ATOM 153 CG LYS 151 −9.85952.996 −6.372 1.00 57.80 ATOM 154 CD LYS 151 −9.711 54.513 −6.375 1.0057.00 ATOM 155 CE LYS 151 −10.975 55.191 −5.868 1.00 56.13 ATOM 156 NZLYS 151 −10.706 56.603 −5.487 1.00 54.37 ATOM 157 N GLU 152 −9.52650.867 −9.222 1.00 60.08 ATOM 158 CA GLU 152 −10.491 50.858 −10.326 1.0060.84 ATOM 159 C GLU 152 −11.066 49.467 −10.619 1.00 60.69 ATOM 160 OGLU 152 −12.257 49.323 −10.912 1.00 60.54 ATOM 161 CB GLU 152 −9.78251.379 −11.572 1.00 61.06 ATOM 162 CG GLU 152 −10.668 51.860 −12.7271.00 64.00 ATOM 163 CD GLU 152 −9.947 52.910 −13.573 1.00 65.38 ATOM 164OE1 GLU 152 −8.784 52.679 −13.986 1.00 65.59 ATOM 165 OE2 GLU 152−10.537 53.987 −13.794 1.00 67.79 ATOM 166 N ILE 153 −10.199 48.459−10.551 1.00 60.40 ATOM 167 CA ILE 153 −10.560 47.088 −10.885 1.00 59.97ATOM 168 C ILE 153 −11.005 46.287 −9.649 1.00 59.93 ATOM 169 O ILE 153−11.676 45.255 −9.806 1.00 59.92 ATOM 170 CB ILE 153 −9.396 46.345−11.633 1.00 60.11 ATOM 171 CG1 ILE 153 −8.231 46.011 −10.666 1.00 59.91ATOM 172 CG2 ILE 153 −8.954 47.141 −12.886 1.00 59.57 ATOM 173 CD1 ILE153 −7.180 45.087 −11.244 1.00 59.73 ATOM 174 N SER 154 −10.639 46.762−8.442 1.00 59.44 ATOM 175 CA SER 154 −10.934 46.046 −7.191 1.00 59.16ATOM 176 C SER 154 −12.228 46.524 −6.536 1.00 59.11 ATOM 177 O SER 154−12.506 47.729 −6.506 1.00 58.66 ATOM 178 CB SER 154 −9.777 46.159−6.179 1.00 59.05 ATOM 179 OG SER 154 −8.528 45.889 −6.786 1.00 58.46ATOM 180 N GLN 155 −12.998 45.574 −5.992 1.00 59.19 ATOM 181 CA GLN 155−14.252 45.887 −5.279 1.00 59.20 ATOM 182 C GLN 155 −13.990 46.642−3.969 1.00 58.56 ATOM 183 O GLN 155 −14.872 47.344 −3.441 1.00 58.43ATOM 184 CB GLN 155 −15.103 44.620 −5.037 1.00 59.42 ATOM 185 CG GLN 155−14.478 43.547 −4.109 1.00 59.96 ATOM 186 CD GLN 155 −15.294 42.235−4.047 1.00 60.84 ATOM 187 OE1 GLN 155 −16.514 42.259 −3.833 1.00 63.53ATOM 188 NE2 GLN 155 −14.613 41.090 −4.221 1.00 61.62 ATOM 189 N TYR 156−12.775 46.479 −3.447 1.00 57.89 ATOM 190 CA TYR 156 −12.301 47.244−2.290 1.00 57.36 ATOM 191 C TYR 156 −10.756 47.310 −2.288 1.00 56.68ATOM 192 O TYR 156 −10.080 46.428 −2.857 1.00 55.91 ATOM 193 CB TYR 156−12.874 46.699 −0.957 1.00 57.64 ATOM 194 CG TYR 156 −13.016 45.174−0.860 1.00 59.03 ATOM 195 CD1 TYR 156 −11.895 44.325 −0.994 1.00 59.96ATOM 196 CD2 TYR 156 −14.268 44.578 −0.624 1.00 60.16 ATOM 197 CE1 TYR156 −12.014 42.918 −0.915 1.00 59.50 ATOM 198 CE2 TYR 156 −14.399 43.161−0.535 1.00 60.74 ATOM 199 CZ TYR 156 −13.260 42.346 −0.684 1.00 59.41ATOM 200 OH TYR 156 −13.355 40.974 −0.586 1.00 58.74 ATOM 201 N GLY 157−10.224 48.381 −1.686 1.00 55.88 ATOM 202 CA GLY 157 −8.782 48.552−1.486 1.00 54.70 ATOM 203 C GLY 157 −8.046 48.941 −2.750 1.00 53.87ATOM 204 O GLY 157 −8.628 48.988 −3.838 1.00 53.85 ATOM 205 N ALA 158−6.753 49.211 −2.600 1.00 53.06 ATOM 206 CA ALA 158 −5.889 49.638 −3.7041.00 52.34 ATOM 207 C ALA 158 −4.458 49.573 −3.233 1.00 51.79 ATOM 208 OALA 158 −4.116 50.133 −2.176 1.00 51.74 ATOM 209 CB ALA 158 −6.21051.065 −4.162 1.00 52.30 ATOM 210 N HIS 159 −3.601 48.919 −4.006 1.0050.50 ATOM 211 CA HIS 159 −2.245 48.777 −3.514 1.00 49.70 ATOM 212 C HIS159 −1.569 50.148 −3.570 1.00 49.57 ATOM 213 O HIS 159 −1.826 50.969−4.477 1.00 49.86 ATOM 214 CB HIS 159 −1.439 47.699 −4.251 1.00 48.45ATOM 215 CG HIS 159 −0.801 48.164 −5.524 1.00 45.98 ATOM 216 ND1 HIS 1590.410 48.828 −5.551 1.00 43.16 ATOM 217 CD2 HIS 159 −1.178 48.011 −6.8191.00 42.93 ATOM 218 CE1 HIS 159 0.738 49.088 −6.808 1.00 42.42 ATOM 219NE2 HIS 159 −0.194 48.579 −7.595 1.00 39.71 ATOM 220 N ASN 160 −0.74650.384 −2.560 1.00 49.49 ATOM 221 CA ASN 160 0.054 51.594 −2.464 1.0048.81 ATOM 222 C ASN 160 1.412 51.224 −1.879 1.00 48.38 ATOM 223 O ASN160 1.642 50.069 −1.462 1.00 47.84 ATOM 224 CB ASN 160 −0.673 52.701−1.658 1.00 48.67 ATOM 225 CG ASN 160 −1.276 52.196 −0.336 1.00 48.57ATOM 226 OD1 ASN 160 −2.384 51.659 −0.308 1.00 49.39 ATOM 227 ND2 ASN160 −0.557 52.409 0.762 1.00 47.12 ATOM 228 N GLN 161 2.316 52.203−1.878 1.00 47.92 ATOM 229 CA GLN 161 3.710 51.989 −1.502 1.00 47.53ATOM 230 C GLN 161 4.428 53.326 −1.401 1.00 47.31 ATOM 231 O GLN 1613.974 54.353 −1.960 1.00 47.48 ATOM 232 CB GLN 161 4.425 51.114 −2.5421.00 47.08 ATOM 233 CG GLN 161 4.320 51.651 −3.982 1.00 47.63 ATOM 234CD GLN 161 3.004 51.296 −4.648 1.00 48.13 ATOM 235 OE1 GLN 161 2.50450.166 −4.487 1.00 47.49 ATOM 236 NE2 GLN 161 2.426 52.249 −5.397 1.0048.31 ATOM 237 N ARG 162 5.536 53.313 −0.668 1.00 46.28 ATOM 238 CA ARG162 6.427 54.435 −0.704 1.00 45.81 ATOM 239 C ARG 162 7.032 54.593−2.125 1.00 45.47 ATOM 240 O ARG 162 7.245 53.605 −2.901 1.00 44.60 ATOM241 CB ARG 162 7.495 54.348 0.389 1.00 45.64 ATOM 242 CG ARG 162 7.99955.693 0.859 1.00 45.77 ATOM 243 CD ARG 162 9.102 55.488 1.931 1.0046.20 ATOM 244 NE ARG 162 8.617 54.789 3.121 1.00 43.09 ATOM 245 CZ ARG162 9.405 54.167 4.011 1.00 45.13 ATOM 246 NH1 ARG 162 10.739 54.1603.862 1.00 43.75 ATOM 247 NH2 ARG 162 8.864 53.570 5.077 1.00 44.59 ATOM248 N SER 163 7.246 55.858 −2.479 1.00 44.43 ATOM 249 CA SER 163 7.91456.146 −3.716 1.00 43.91 ATOM 250 C SER 163 8.854 57.331 −3.548 1.0042.32 ATOM 251 O SER 163 8.597 58.236 −2.760 1.00 43.00 ATOM 252 CB SER163 6.887 56.300 −4.856 1.00 44.01 ATOM 253 OG SER 163 6.306 57.569−4.855 1.00 47.10 ATOM 254 N ILE 181 10.703 70.756 −2.585 1.00 27.65ATOM 255 CA ILE 181 9.879 69.847 −1.798 1.00 28.15 ATOM 256 C ILE 1818.375 70.134 −1.999 1.00 29.61 ATOM 257 O ILE 181 7.584 69.196 −2.2371.00 30.26 ATOM 258 CB ILE 181 10.259 69.876 −0.283 1.00 28.11 ATOM 259CG1 ILE 181 11.633 69.233 −0.105 1.00 25.88 ATOM 260 CG2 ILE 181 9.23969.090 0.517 1.00 26.16 ATOM 261 CD1 ILE 181 12.443 69.751 1.114 1.0027.81 ATOM 262 N ASP 182 7.974 71.413 −1.900 1.00 30.08 ATOM 263 CA ASP182 6.555 71.756 −2.064 1.00 31.00 ATOM 264 C ASP 182 6.038 71.466−3.464 1.00 31.45 ATOM 265 O ASP 182 4.964 70.923 −3.592 1.00 32.21 ATOM266 CB ASP 182 6.253 73.205 −1.669 1.00 31.45 ATOM 267 CG ASP 182 6.35873.420 −0.194 1.00 33.00 ATOM 268 OD1 ASP 182 6.060 72.499 0.589 1.0038.70 ATOM 269 OD2 ASP 182 6.807 74.473 0.202 1.00 33.35 ATOM 270 N TYR183 6.801 71.776 −4.512 1.00 31.67 ATOM 271 CA TYR 183 6.346 71.379−5.878 1.00 31.88 ATOM 272 C TYR 183 5.996 69.892 −6.001 1.00 31.33 ATOM273 O TYR 183 5.079 69.513 −6.769 1.00 31.50 ATOM 274 CB TYR 183 7.40771.695 −6.959 1.00 32.44 ATOM 275 CG TYR 183 7.509 73.139 −7.389 1.0032.80 ATOM 276 CD1 TYR 183 6.354 73.909 −7.666 1.00 34.47 ATOM 277 CD2TYR 183 8.759 73.729 −7.578 1.00 32.37 ATOM 278 CE1 TYR 183 6.468 75.247−8.101 1.00 33.02 ATOM 279 CE2 TYR 183 8.889 75.045 −7.983 1.00 31.79ATOM 280 CZ TYR 183 7.731 75.807 −8.253 1.00 33.92 ATOM 281 OH TYR 1837.879 77.117 −8.689 1.00 34.75 ATOM 282 N VAL 184 6.739 69.036 −5.2991.00 31.13 ATOM 283 CA VAL 184 6.472 67.566 −5.349 1.00 30.51 ATOM 284 CVAL 184 5.338 67.145 −4.441 1.00 31.17 ATOM 285 O VAL 184 4.415 66.457−4.858 1.00 31.57 ATOM 286 CB VAL 184 7.746 66.711 −4.997 1.00 30.57ATOM 287 CG1 VAL 184 7.398 65.190 −5.041 1.00 29.99 ATOM 288 CG2 VAL 1848.844 67.002 −5.995 1.00 31.45 ATOM 289 N GLU 185 5.420 67.543 −3.1731.00 31.99 ATOM 290 CA GLU 185 4.476 67.096 −2.159 1.00 33.75 ATOM 291 CGLU 185 3.061 67.540 −2.469 1.00 35.59 ATOM 292 O GLU 185 2.087 66.813−2.163 1.00 34.88 ATOM 293 CB GLU 185 4.923 67.550 −0.764 1.00 33.52ATOM 294 CG GLU 185 6.124 66.727 −0.249 1.00 34.66 ATOM 295 CD GLU 1856.472 67.088 1.180 1.00 37.62 ATOM 296 OE1 GLU 185 6.132 68.250 1.5521.00 34.07 ATOM 297 OE2 GLU 185 7.071 66.223 1.905 1.00 39.40 ATOM 298 NTHR 186 2.962 68.703 −3.113 1.00 37.29 ATOM 299 CA THR 186 1.671 69.219−3.581 1.00 39.44 ATOM 300 C THR 186 0.997 68.210 −4.470 1.00 39.55 ATOM301 O THR 186 −0.216 68.035 −4.416 1.00 39.96 ATOM 302 CB THR 186 1.83170.510 −4.351 1.00 39.43 ATOM 303 OG1 THR 186 1.926 71.571 −3.413 1.0041.26 ATOM 304 CG2 THR 186 0.608 70.760 −5.263 1.00 42.27 ATOM 305 N GLN187 1.809 67.527 −5.263 1.00 40.30 ATOM 306 CA GLN 187 1.310 66.644−6.305 1.00 40.35 ATOM 307 C GLN 187 1.120 65.204 −5.847 1.00 40.86 ATOM308 O GLN 187 0.467 64.414 −6.546 1.00 40.53 ATOM 309 CB GLN 187 2.23366.690 −7.547 1.00 40.36 ATOM 310 CG GLN 187 2.314 68.075 −8.228 1.0039.80 ATOM 311 CD GLN 187 0.947 68.577 −8.653 1.00 39.36 ATOM 312 OE1GLN 187 0.005 67.783 −8.777 1.00 39.91 ATOM 313 NE2 GLN 187 0.828 69.887−8.887 1.00 35.15 ATOM 314 N ALA 188 1.671 64.843 −4.691 1.00 41.85 ATOM315 CA ALA 188 1.614 63.438 −4.252 1.00 43.17 ATOM 316 C ALA 188 0.19262.942 −4.004 1.00 43.55 ATOM 317 O ALA 188 −0.660 63.715 −3.577 1.0043.98 ATOM 318 CB ALA 188 2.520 63.199 −2.984 1.00 43.74 ATOM 319 N SER189 −0.068 61.656 −4.297 1.00 44.60 ATOM 320 CA SER 189 −1.298 60.977−3.803 1.00 45.06 ATOM 321 C SER 189 −1.502 61.373 −2.327 1.00 45.29ATOM 322 O SER 189 −2.600 61.760 −1.911 1.00 45.23 ATOM 323 CB SER 189−1.173 59.435 −3.887 1.00 45.28 ATOM 324 OG SER 189 −1.596 58.905 −5.1331.00 44.89 ATOM 325 N CYS 190 −0.429 61.225 −1.550 1.00 45.95 ATOM 326CA CYS 190 −0.320 61.796 −0.189 1.00 46.60 ATOM 327 C CYS 190 1.14861.866 0.259 1.00 46.70 ATOM 328 O CYS 190 1.985 61.031 −0.126 1.0046.76 ATOM 329 CB CYS 190 −1.153 61.017 0.841 1.00 46.68 ATOM 330 SG CYS190 −1.465 61.939 2.425 1.00 48.51 ATOM 331 N GLN 191 1.450 62.873 1.0641.00 46.03 ATOM 332 CA GLN 191 2.796 63.026 1.622 1.00 46.34 ATOM 333 CGLN 191 2.995 62.247 2.921 1.00 45.74 ATOM 334 O GLN 191 2.041 61.7513.533 1.00 45.80 ATOM 335 CB GLN 191 3.115 64.501 1.856 1.00 46.24 ATOM336 CG GLN 191 1.986 65.240 2.522 1.00 46.12 ATOM 337 CD GLN 191 2.25766.708 2.616 1.00 45.71 ATOM 338 OE1 GLN 191 3.128 67.120 3.362 1.0042.50 ATOM 339 NE2 GLN 191 1.513 67.518 1.839 1.00 47.50 ATOM 340 N LEU192 4.251 62.176 3.341 1.00 45.93 ATOM 341 CA LEU 192 4.634 61.393 4.5081.00 45.42 ATOM 342 C LEU 192 4.759 62.259 5.762 1.00 45.84 ATOM 343 OLEU 192 5.036 63.474 5.694 1.00 45.09 ATOM 344 CB LEU 192 5.940 60.6364.234 1.00 45.16 ATOM 345 CG LEU 192 5.993 59.679 3.044 1.00 43.78 ATOM346 CD1 LEU 192 7.329 58.955 3.016 1.00 43.93 ATOM 347 CD2 LEU 192 4.89358.657 3.093 1.00 43.70 ATOM 348 N TYR 193 4.520 61.615 6.906 1.00 45.73ATOM 349 CA TYR 193 4.756 62.218 8.203 1.00 45.73 ATOM 350 C TYR 1935.404 61.167 9.120 1.00 46.31 ATOM 351 O TYR 193 5.035 59.967 9.095 1.0045.28 ATOM 352 CB TYR 193 3.445 62.738 8.812 1.00 45.20 ATOM 353 CG TYR193 2.638 63.691 7.907 1.00 44.11 ATOM 354 CD1 TYR 193 2.823 65.0787.964 1.00 43.87 ATOM 355 CD2 TYR 193 1.683 63.186 6.998 1.00 44.60 ATOM356 CE1 TYR 193 2.068 65.944 7.143 1.00 43.56 ATOM 357 CE2 TYR 193 0.93064.029 6.190 1.00 42.74 ATOM 358 CZ TYR 193 1.133 65.409 6.273 1.0042.90 ATOM 359 OH TYR 193 0.401 66.227 5.474 1.00 44.37 ATOM 360 N GLY194 6.385 61.623 9.896 1.00 47.12 ATOM 361 CA GLY 194 6.981 60.80110.936 1.00 48.68 ATOM 362 C GLY 194 5.913 60.387 11.934 1.00 49.53 ATOM363 O GLY 194 5.722 59.183 12.171 1.00 49.81 ATOM 364 N LEU 195 5.18861.368 12.482 1.00 50.33 ATOM 365 CA LEU 195 4.240 61.095 13.579 1.0051.06 ATOM 366 C LEU 195 2.784 61.345 13.193 1.00 52.16 ATOM 367 O LEU195 2.389 62.489 12.837 1.00 51.75 ATOM 368 CB LEU 195 4.612 61.88914.840 1.00 50.86 ATOM 369 CG LEU 195 3.940 61.618 16.195 1.00 50.48ATOM 370 CD1 LEU 195 4.719 62.355 17.275 1.00 49.39 ATOM 371 CD2 LEU 1952.516 62.141 16.207 1.00 51.52 ATOM 372 N LEU 196 1.990 60.277 13.2901.00 53.08 ATOM 373 CA LEU 196 0.583 60.340 12.936 1.00 55.19 ATOM 374 CLEU 196 −0.282 59.778 14.069 1.00 56.77 ATOM 375 O LEU 196 0.000 58.70514.604 1.00 56.95 ATOM 376 CB LEU 196 0.326 59.604 11.612 1.00 54.79ATOM 377 CG LEU 196 0.949 60.235 10.346 1.00 55.32 ATOM 378 CD1 LEU 1960.931 59.273 9.136 1.00 54.75 ATOM 379 CD2 LEU 196 0.317 61.613 9.9901.00 54.04 ATOM 380 N LYS 197 −1.314 60.519 14.463 1.00 58.59 ATOM 381CA LYS 197 −2.334 59.933 15.353 1.00 60.40 ATOM 382 C LYS 197 −3.39359.174 14.545 1.00 60.81 ATOM 383 O LYS 197 −3.364 59.195 13.294 1.0060.59 ATOM 384 CB LYS 197 −2.941 60.970 16.316 1.00 60.82 ATOM 385 CGLYS 197 −2.344 60.884 17.753 1.00 63.00 ATOM 386 CD LYS 197 −0.79360.988 17.781 1.00 64.23 ATOM 387 CE LYS 197 −0.195 60.868 19.202 1.0064.55 ATOM 388 NZ LYS 197 −0.184 59.471 19.739 1.00 64.56 ATOM 389 N ARG198 −4.289 58.479 15.256 1.00 61.03 ATOM 390 CA ARG 198 −5.388 57.74614.631 1.00 61.98 ATOM 391 C ARG 198 −6.168 58.558 13.574 1.00 61.01ATOM 392 O ARG 198 −6.279 58.122 12.435 1.00 60.94 ATOM 393 CB ARG 198−6.332 57.144 15.690 1.00 62.12 ATOM 394 CG ARG 198 −6.388 55.616 15.6791.00 64.00 ATOM 395 CD ARG 198 −6.848 54.991 17.028 1.00 64.71 ATOM 396NE ARG 198 −7.001 53.536 16.895 1.00 70.51 ATOM 397 CZ ARG 198 −8.17352.893 16.895 1.00 71.39 ATOM 398 NH1 ARG 198 −9.309 53.569 17.049 1.0074.34 ATOM 399 NH2 ARG 198 −8.216 51.570 16.745 1.00 73.50 ATOM 400 NPRO 199 −6.712 59.735 13.949 1.00 60.31 ATOM 401 CA PRO 199 −7.39460.542 12.926 1.00 59.80 ATOM 402 C PRO 199 −6.506 60.946 11.725 1.0059.02 ATOM 403 O PRO 199 −6.975 60.893 10.582 1.00 58.60 ATOM 404 CB PRO199 −7.891 61.778 13.706 1.00 60.10 ATOM 405 CG PRO 199 −7.149 61.78015.009 1.00 60.56 ATOM 406 CD PRO 199 −6.771 60.356 15.291 1.00 60.60ATOM 407 N ASP 200 −5.247 61.316 11.978 1.00 58.37 ATOM 408 CA ASP 200−4.289 61.627 10.889 1.00 58.09 ATOM 409 C ASP 200 −4.123 60.454 9.9321.00 57.97 ATOM 410 O ASP 200 −4.210 60.623 8.707 1.00 58.11 ATOM 411 CBASP 200 −2.916 62.014 11.440 1.00 57.41 ATOM 412 CG ASP 200 −2.98763.149 12.416 1.00 56.87 ATOM 413 OD1 ASP 200 −3.551 64.204 12.044 1.0056.53 ATOM 414 OD2 ASP 200 −2.471 62.986 13.545 1.00 54.07 ATOM 415 NGLU 201 −3.876 59.271 10.498 1.00 57.96 ATOM 416 CA GLU 201 −3.80158.036 9.707 1.00 58.04 ATOM 417 C GLU 201 −5.089 57.778 8.868 1.0057.99 ATOM 418 O GLU 201 −5.010 57.296 7.717 1.00 57.08 ATOM 419 CB GLU201 −3.411 56.822 10.577 1.00 58.12 ATOM 420 CG GLU 201 −3.762 55.4799.910 1.00 59.81 ATOM 421 CD GLU 201 −2.850 54.339 10.275 1.00 59.25ATOM 422 OE1 GLU 201 −2.353 54.293 11.424 1.00 61.24 ATOM 423 OE2 GLU201 −2.653 53.472 9.394 1.00 61.33 ATOM 424 N LYS 202 −6.258 58.1069.444 1.00 58.11 ATOM 425 CA LYS 202 −7.538 58.002 8.733 1.00 58.01 ATOM426 C LYS 202 −7.538 58.940 7.519 1.00 57.58 ATOM 427 O LYS 202 −7.88458.514 6.416 1.00 57.11 ATOM 428 CB LYS 202 −8.729 58.282 9.670 1.0058.00 ATOM 429 CG LYS 202 −10.094 58.289 8.991 1.00 58.29 ATOM 430 CDLYS 202 −11.235 58.423 10.025 1.00 58.66 ATOM 431 CE LYS 202 −12.51759.076 9.442 1.00 58.41 ATOM 432 NZ LYS 202 −12.846 58.760 8.009 1.0059.05 ATOM 433 N TYR 203 −7.132 60.198 7.752 1.00 57.29 ATOM 434 CA TYR203 −7.027 61.255 6.731 1.00 56.76 ATOM 435 C TYR 203 −6.051 60.8475.622 1.00 55.73 ATOM 436 O TYR 203 −6.365 60.900 4.439 1.00 55.19 ATOM437 CB TYR 203 −6.594 62.584 7.391 1.00 57.82 ATOM 438 CG TYR 203 −6.40363.759 6.431 1.00 57.69 ATOM 439 CD1 TYR 203 −7.378 64.778 6.304 1.0059.41 ATOM 440 CD2 TYR 203 −5.257 63.838 5.633 1.00 59.00 ATOM 441 CE1TYR 203 −7.192 65.857 5.410 1.00 59.51 ATOM 442 CE2 TYR 203 −5.06564.889 4.745 1.00 60.75 ATOM 443 CZ TYR 203 −6.017 65.900 4.636 1.0058.13 ATOM 444 OH TYR 203 −5.754 66.922 3.740 1.00 60.67 ATOM 445 N VAL204 −4.866 60.422 6.026 1.00 54.95 ATOM 446 CA VAL 204 −3.835 60.0175.072 1.00 54.58 ATOM 447 C VAL 204 −4.290 58.782 4.213 1.00 53.79 ATOM448 O VAL 204 −4.091 58.758 2.986 1.00 52.60 ATOM 449 CB VAL 204 −2.46959.851 5.822 1.00 54.92 ATOM 450 CG1 VAL 204 −1.523 58.898 5.116 1.0056.19 ATOM 451 CG2 VAL 204 −1.820 61.233 6.087 1.00 53.61 ATOM 452 N THR205 −4.949 57.801 4.851 1.00 53.09 ATOM 453 CA THR 205 −5.456 56.6264.132 1.00 52.58 ATOM 454 C THR 205 −6.437 57.018 3.017 1.00 53.09 ATOM455 O THR 205 −6.340 56.514 1.878 1.00 52.50 ATOM 456 CB THR 205 −6.10955.579 5.091 1.00 52.24 ATOM 457 OG1 THR 205 −5.109 55.049 5.976 1.0050.47 ATOM 458 CG2 THR 205 −6.716 54.420 4.305 1.00 51.46 ATOM 459 N GLU206 −7.352 57.929 3.365 1.00 53.01 ATOM 460 CA GLU 206 −8.444 58.3552.489 1.00 53.57 ATOM 461 C GLU 206 −7.956 59.243 1.363 1.00 53.60 ATOM462 O GLU 206 −8.280 58.979 0.203 1.00 53.68 ATOM 463 CB GLU 206 −9.56359.021 3.295 1.00 53.31 ATOM 464 CG GLU 206 −10.150 58.061 4.283 1.0054.66 ATOM 465 CD GLU 206 −11.279 58.627 5.124 1.00 55.83 ATOM 466 OE1GLU 206 −11.449 59.865 5.199 1.00 58.27 ATOM 467 OE2 GLU 206 −11.99357.802 5.731 1.00 57.86 ATOM 468 N LYS 207 −7.171 60.270 1.714 1.0053.98 ATOM 469 CA LYS 207 −6.504 61.175 0.746 1.00 54.40 ATOM 470 C LYS207 −5.834 60.360 −0.379 1.00 54.04 ATOM 471 O LYS 207 −6.116 60.553−1.572 1.00 53.03 ATOM 472 CB LYS 207 −5.463 62.044 1.481 1.00 54.50ATOM 473 CG LYS 207 −4.727 63.081 0.646 1.00 56.04 ATOM 474 CD LYS 207−3.784 63.911 1.522 1.00 58.59 ATOM 475 CE LYS 207 −3.018 64.957 0.7131.00 59.46 ATOM 476 NZ LYS 207 −2.119 65.730 1.635 1.00 58.18 ATOM 477 NALA 208 −4.973 59.429 0.029 1.00 54.31 ATOM 478 CA ALA 208 −4.238 58.613−0.900 1.00 55.01 ATOM 479 C ALA 208 −5.226 57.838 −1.799 1.00 55.58ATOM 480 O ALA 208 −5.072 57.834 −3.021 1.00 55.47 ATOM 481 CB ALA 208−3.292 57.663 −0.130 1.00 55.20 ATOM 482 N TYR 209 −6.243 57.217 −1.1831.00 57.15 ATOM 483 CA TYR 209 −7.312 56.466 −1.915 1.00 56.96 ATOM 484C TYR 209 −8.039 57.342 −2.964 1.00 56.61 ATOM 485 O TYR 209 −8.23056.916 −4.130 1.00 56.39 ATOM 486 CB TYR 209 −8.321 55.842 −0.925 1.0057.07 ATOM 487 CG TYR 209 −9.265 54.766 −1.483 1.00 57.70 ATOM 488 CD1TYR 209 −8.809 53.454 −1.731 1.00 58.72 ATOM 489 CD2 TYR 209 −10.63155.048 −1.719 1.00 58.01 ATOM 490 CE1 TYR 209 −9.689 52.458 −2.216 1.0059.35 ATOM 491 CE2 TYR 209 −11.506 54.068 −2.208 1.00 57.42 ATOM 492 CZTYR 209 −11.026 52.777 −2.451 1.00 55.90 ATOM 493 OH TYR 209 −11.88151.806 −2.917 1.00 58.74 ATOM 494 N GLU 210 −8.389 58.570 −2.558 1.0056.26 ATOM 495 CA GLU 210 −9.155 59.505 −3.411 1.00 56.42 ATOM 496 C GLU210 −8.343 60.109 −4.566 1.00 56.04 ATOM 497 O GLU 210 −8.907 60.607−5.553 1.00 56.04 ATOM 498 CB GLU 210 −9.743 60.642 −2.566 1.00 56.91ATOM 499 CG GLU 210 −10.701 60.175 −1.446 1.00 58.24 ATOM 500 CD GLU 210−10.842 61.207 −0.337 1.00 61.03 ATOM 501 OE1 GLU 210 −10.317 62.342−0.514 1.00 63.30 ATOM 502 OE2 GLU 210 −11.480 60.889 0.700 1.00 60.60ATOM 503 N ASN 211 −7.021 60.028 −4.434 1.00 54.85 ATOM 504 CA ASN 211−6.079 60.747 −5.277 1.00 54.55 ATOM 505 C ASN 211 −5.033 59.735 −5.8791.00 53.11 ATOM 506 O ASN 211 −3.831 59.980 −5.806 1.00 52.60 ATOM 507CB ASN 211 −5.479 61.894 −4.393 1.00 55.22 ATOM 508 CG ASN 211 −4.33262.682 −5.055 1.00 58.06 ATOM 509 OD1 ASN 211 −4.018 62.510 −6.243 1.0060.91 ATOM 510 ND2 ASN 211 −3.692 63.565 −4.261 1.00 59.82 ATOM 511 NPRO 212 −5.496 58.597 −6.491 1.00 51.64 ATOM 512 CA PRO 212 −4.51557.628 −6.998 1.00 50.32 ATOM 513 C PRO 212 −3.784 58.231 −8.212 1.0049.35 ATOM 514 O PRO 212 −4.417 58.916 −9.022 1.00 48.96 ATOM 515 CB PRO212 −5.386 56.455 −7.461 1.00 50.49 ATOM 516 CG PRO 212 −6.674 57.098−7.891 1.00 51.04 ATOM 517 CD PRO 212 −6.876 58.180 −6.826 1.00 51.68ATOM 518 N LYS 213 −2.479 57.973 −8.318 1.00 47.51 ATOM 519 CA LYS 213−1.648 58.498 −9.375 1.00 46.52 ATOM 520 C LYS 213 −0.638 57.445 −9.7691.00 46.02 ATOM 521 O LYS 213 0.019 56.851 −8.906 1.00 46.15 ATOM 522 CBLYS 213 −0.893 59.737 −8.909 1.00 46.06 ATOM 523 CG LYS 213 −1.76960.976 −8.686 1.00 45.94 ATOM 524 CD LYS 213 −1.021 62.289 −9.006 1.0042.30 ATOM 525 CE LYS 213 −1.946 63.481 −8.706 1.00 42.12 ATOM 526 NZLYS 213 −1.223 64.796 −8.755 1.00 41.19 ATOM 527 N PHE 214 −0.534 57.201−11.073 1.00 45.52 ATOM 528 CA PHE 214 0.540 56.384 −11.634 1.00 45.58ATOM 529 C PHE 214 1.875 57.134 −11.471 1.00 43.76 ATOM 530 O PHE 2141.897 58.364 −11.285 1.00 43.89 ATOM 531 CB PHE 214 0.299 56.150 −13.1411.00 46.89 ATOM 532 CG PHE 214 −0.840 55.212 −13.471 1.00 48.64 ATOM 533CD1 PHE 214 −0.830 53.881 −13.033 1.00 51.01 ATOM 534 CD2 PHE 214 −1.89055.646 −14.309 1.00 50.55 ATOM 535 CE1 PHE 214 −1.876 52.991 −13.3781.00 52.20 ATOM 536 CE2 PHE 214 −2.938 54.788 −14.672 1.00 50.78 ATOM537 CZ PHE 214 −2.938 53.451 −14.199 1.00 51.48 ATOM 538 N VAL 215 2.98656.408 −11.572 1.00 41.22 ATOM 539 CA VAL 215 4.268 57.060 −11.753 1.0039.38 ATOM 540 C VAL 215 4.255 58.075 −12.936 1.00 38.44 ATOM 541 O VAL215 4.831 59.167 −12.830 1.00 37.18 ATOM 542 CB VAL 215 5.451 56.045−11.859 1.00 39.18 ATOM 543 CG1 VAL 215 5.390 55.182 −13.135 1.00 37.11ATOM 544 CG2 VAL 215 6.681 56.782 −11.833 1.00 39.54 ATOM 545 N GLU 2163.578 57.712 −14.035 1.00 37.54 ATOM 546 CA GLU 216 3.430 58.603 −15.2001.00 36.83 ATOM 547 C GLU 216 2.775 59.953 −14.819 1.00 36.37 ATOM 548 OGLU 216 3.271 61.013 −15.164 1.00 35.59 ATOM 549 CB GLU 216 2.592 57.931−16.287 1.00 36.59 ATOM 550 CG GLU 216 3.269 56.750 −17.002 1.00 36.95ATOM 551 CD GLU 216 2.843 55.395 −16.448 1.00 36.23 ATOM 552 OE1 GLU 2162.424 55.387 −15.285 1.00 35.17 ATOM 553 OE2 GLU 216 2.953 54.341−17.152 1.00 36.48 ATOM 554 N ASP 217 1.666 59.879 −14.096 1.00 37.46ATOM 555 CA ASP 217 0.924 61.055 −13.575 1.00 37.41 ATOM 556 C ASP 2171.763 61.917 −12.679 1.00 36.40 ATOM 557 O ASP 217 1.733 63.152 −12.7811.00 35.80 ATOM 558 CB ASP 217 −0.305 60.587 −12.782 1.00 39.17 ATOM 559CG ASP 217 −1.379 59.979 −13.689 1.00 42.59 ATOM 560 OD1 ASP 217 −1.61160.541 −14.803 1.00 44.14 ATOM 561 OD2 ASP 217 −1.972 58.946 −13.2941.00 45.24 ATOM 562 N MET 218 2.523 61.279 −11.793 1.00 36.11 ATOM 563CA MET 218 3.384 62.025 −10.895 1.00 35.43 ATOM 564 C MET 218 4.51662.729 −11.624 1.00 33.47 ATOM 565 O MET 218 4.761 63.892 −11.387 1.0032.57 ATOM 566 CB MET 218 3.919 61.129 −9.744 1.00 36.86 ATOM 567 CG MET218 4.835 61.863 −8.686 1.00 39.05 ATOM 568 SD MET 218 4.098 63.050−7.489 1.00 48.15 ATOM 569 CE MET 218 2.385 62.882 −7.908 1.00 47.14ATOM 570 N VAL 219 5.233 62.058 −12.507 1.00 32.53 ATOM 571 CA VAL 2196.310 62.816 −13.169 1.00 32.64 ATOM 572 C VAL 219 5.758 64.016 −13.9701.00 32.02 ATOM 573 O VAL 219 6.383 65.105 −13.996 1.00 30.73 ATOM 574CB VAL 219 7.290 61.951 −14.026 1.00 32.81 ATOM 575 CG1 VAL 219 8.10861.031 −13.124 1.00 33.18 ATOM 576 CG2 VAL 219 6.570 61.164 −15.095 1.0033.07 ATOM 577 N ARG 220 4.613 63.799 −14.631 1.00 32.42 ATOM 578 CA ARG220 3.940 64.851 −15.425 1.00 32.49 ATOM 579 C ARG 220 3.445 66.069−14.650 1.00 33.39 ATOM 580 O ARG 220 3.745 67.221 −15.037 1.00 34.66ATOM 581 CB ARG 220 2.814 64.264 −16.220 1.00 32.42 ATOM 582 CG ARG 2203.309 63.496 −17.434 1.00 31.64 ATOM 583 CD ARG 220 2.123 62.782 −18.0651.00 32.29 ATOM 584 NE ARG 220 2.428 62.444 −19.436 1.00 34.95 ATOM 585CZ ARG 220 1.932 61.391 −20.059 1.00 35.09 ATOM 586 NH1 ARG 220 1.12060.547 −19.417 1.00 33.56 ATOM 587 NH2 ARG 220 2.268 61.180 −21.319 1.0036.65 ATOM 588 N ASP 221 2.717 65.830 −13.566 1.00 34.07 ATOM 589 CA ASP221 2.290 66.894 −12.636 1.00 33.76 ATOM 590 C ASP 221 3.446 67.711−12.069 1.00 33.51 ATOM 591 O ASP 221 3.342 68.931 −11.968 1.00 33.79ATOM 592 CB ASP 221 1.453 66.265 −11.505 1.00 34.70 ATOM 593 CG ASP 2210.124 65.715 −12.009 1.00 36.94 ATOM 594 OD1 ASP 221 −0.162 65.982−13.197 1.00 40.28 ATOM 595 OD2 ASP 221 −0.626 65.034 −11.263 1.00 36.36ATOM 596 N VAL 222 4.559 67.058 −11.697 1.00 32.83 ATOM 597 CA VAL 2225.737 67.797 −11.232 1.00 31.91 ATOM 598 C VAL 222 6.418 68.561 −12.3891.00 32.92 ATOM 599 O VAL 222 6.823 69.731 −12.243 1.00 32.48 ATOM 600CB VAL 222 6.756 66.875 −10.431 1.00 31.86 ATOM 601 CG1 VAL 222 8.05367.588 −10.118 1.00 29.78 ATOM 602 CG2 VAL 222 6.119 66.313 −9.133 1.0028.77 ATOM 603 N ALA 223 6.553 67.923 −13.549 1.00 32.41 ATOM 604 CA ALA223 7.218 68.622 −14.660 1.00 32.79 ATOM 605 C ALA 223 6.469 69.921−15.061 1.00 32.87 ATOM 606 O ALA 223 7.092 70.971 −15.365 1.00 32.40ATOM 607 CB ALA 223 7.311 67.714 −15.851 1.00 33.64 ATOM 608 N THR 2245.138 69.838 −15.076 1.00 33.30 ATOM 609 CA THR 224 4.311 71.039 −15.3481.00 34.28 ATOM 610 C THR 224 4.709 72.191 −14.426 1.00 33.80 ATOM 611 OTHR 224 4.883 73.312 −14.896 1.00 32.18 ATOM 612 CB THR 224 2.834 70.753−15.250 1.00 34.79 ATOM 613 OG1 THR 224 2.527 69.657 −16.107 1.00 34.54ATOM 614 CG2 THR 224 2.009 71.981 −15.738 1.00 38.37 ATOM 615 N SER 2254.876 71.926 −13.115 1.00 34.23 ATOM 616 CA SER 225 5.217 73.008 −12.1941.00 34.27 ATOM 617 C SER 225 6.582 73.547 −12.546 1.00 34.88 ATOM 618 OSER 225 6.833 74.788 −12.517 1.00 34.49 ATOM 619 CB SER 225 5.208 72.552−10.736 1.00 34.83 ATOM 620 OG SER 225 3.879 72.289 −10.317 1.00 36.16ATOM 621 N LEU 226 7.499 72.638 −12.887 1.00 34.32 ATOM 622 CA LEU 2268.863 73.093 −13.123 1.00 34.58 ATOM 623 C LEU 226 9.034 73.818 −14.4801.00 35.09 ATOM 624 O LEU 226 9.871 74.718 −14.624 1.00 35.39 ATOM 625CB LEU 226 9.867 71.920 −12.956 1.00 34.96 ATOM 626 CG LEU 226 9.77071.026 −11.699 1.00 33.32 ATOM 627 CD1 LEU 226 10.737 69.840 −11.7961.00 29.72 ATOM 628 CD2 LEU 226 10.017 71.850 −10.444 1.00 31.90 ATOM629 N ILE 227 8.285 73.410 −15.499 1.00 35.24 ATOM 630 CA ILE 227 8.35974.134 −16.791 1.00 34.80 ATOM 631 C ILE 227 7.912 75.610 −16.620 1.0035.08 ATOM 632 O ILE 227 8.456 76.548 −17.253 1.00 34.52 ATOM 633 CB ILE227 7.486 73.438 −17.862 1.00 35.35 ATOM 634 CG1 ILE 227 8.228 72.188−18.401 1.00 35.35 ATOM 635 CG2 ILE 227 7.131 74.418 −18.992 1.00 35.51ATOM 636 CD1 ILE 227 7.329 71.149 −19.011 1.00 35.08 ATOM 637 N ALA 2286.950 75.792 −15.727 1.00 35.42 ATOM 638 CA ALA 228 6.324 77.073 −15.4591.00 36.53 ATOM 639 C ALA 228 7.183 78.037 −14.640 1.00 36.58 ATOM 640 OALA 228 7.024 79.270 −14.741 1.00 37.14 ATOM 641 CB ALA 228 4.984 76.835−14.774 1.00 36.82 ATOM 642 N ASP 229 8.109 77.505 −13.850 1.00 36.37ATOM 643 CA ASP 229 8.973 78.352 −13.018 1.00 36.10 ATOM 644 C ASP 22910.034 78.994 −13.915 1.00 37.32 ATOM 645 O ASP 229 10.792 78.279−14.572 1.00 37.73 ATOM 646 CB ASP 229 9.585 77.499 −11.897 1.00 35.82ATOM 647 CG ASP 229 10.310 78.324 −10.861 1.00 35.00 ATOM 648 OD1 ASP229 11.209 79.106 −11.240 1.00 32.09 ATOM 649 OD2 ASP 229 9.966 78.202−9.653 1.00 34.51 ATOM 650 N PHE 242 7.931 51.871 −5.327 1.00 42.06 ATOM651 CA PHE 242 8.328 50.538 −4.849 1.00 43.01 ATOM 652 C PHE 242 7.09949.620 −4.761 1.00 43.06 ATOM 653 O PHE 242 6.628 49.305 −3.649 1.0041.83 ATOM 654 CB PHE 242 9.160 50.645 −3.539 1.00 42.80 ATOM 655 CG PHE242 10.470 51.378 −3.748 1.00 43.34 ATOM 656 CD1 PHE 242 11.578 50.701−4.232 1.00 43.78 ATOM 657 CD2 PHE 242 10.565 52.770 −3.542 1.00 43.59ATOM 658 CE1 PHE 242 12.781 51.376 −4.457 1.00 45.11 ATOM 659 CE2 PHE242 11.767 53.451 −3.755 1.00 42.03 ATOM 660 CZ PHE 242 12.872 52.752−4.214 1.00 43.33 ATOM 661 N GLU 243 6.591 49.235 −5.947 1.00 42.20 ATOM662 CA GLU 243 5.313 48.530 −6.091 1.00 43.24 ATOM 663 C GLU 243 5.19347.503 −4.975 1.00 42.95 ATOM 664 O GLU 243 6.100 46.664 −4.795 1.0041.58 ATOM 665 CB GLU 243 5.176 47.817 −7.456 1.00 43.53 ATOM 666 CG GLU243 5.166 48.729 −8.686 1.00 47.74 ATOM 667 CD GLU 243 4.045 49.790−8.672 1.00 53.02 ATOM 668 OE1 GLU 243 2.909 49.485 −9.111 1.00 56.85ATOM 669 OE2 GLU 243 4.313 50.950 −8.262 1.00 54.32 ATOM 670 N SER 2444.109 47.621 −4.205 1.00 42.95 ATOM 671 CA SER 244 3.917 46.786 −3.0171.00 43.67 ATOM 672 C SER 244 3.492 45.363 −3.422 1.00 44.11 ATOM 673 OSER 244 3.430 44.503 −2.559 1.00 43.54 ATOM 674 CB SER 244 2.872 47.385−2.062 1.00 43.70 ATOM 675 OG SER 244 1.608 47.538 −2.714 1.00 43.76ATOM 676 N ILE 245 3.247 45.151 −4.732 1.00 44.53 ATOM 677 CA ILE 2452.762 43.878 −5.305 1.00 44.90 ATOM 678 C ILE 245 3.796 43.050 −6.1141.00 44.98 ATOM 679 O ILE 245 3.579 41.858 −6.399 1.00 45.25 ATOM 680 CBILE 245 1.446 44.092 −6.131 1.00 45.08 ATOM 681 CG1 ILE 245 1.678 45.000−7.340 1.00 45.82 ATOM 682 CG2 ILE 245 0.327 44.676 −5.234 1.00 45.11ATOM 683 CD1 ILE 245 0.563 44.940 −8.372 1.00 45.19 ATOM 684 N HIS 2464.912 43.691 −6.467 1.00 44.82 ATOM 685 CA HIS 246 6.046 43.056 −7.1701.00 44.40 ATOM 686 C HIS 246 7.299 43.248 −6.337 1.00 43.85 ATOM 687 OHIS 246 7.274 43.929 −5.290 1.00 43.92 ATOM 688 CB HIS 246 6.306 43.733−8.529 1.00 45.24 ATOM 689 CG HIS 246 5.125 43.746 −9.448 1.00 45.19ATOM 690 ND1 HIS 246 4.574 44.916 −9.935 1.00 47.43 ATOM 691 CD2 HIS 2464.390 42.735 −9.968 1.00 44.55 ATOM 692 CE1 HIS 246 3.557 44.616 −10.7291.00 47.01 ATOM 693 NE2 HIS 246 3.423 43.299 −10.761 1.00 45.51 TER ATOM694 MN MN2 A 258 −0.987 48.653 −9.777 1.00 49.60 TER ATOM 695 N ASN 15−0.055 68.475 −21.743 1.00 57.77 ATOM 696 CA ASN 15 0.077 66.987 −21.5731.00 57.60 ATOM 697 C ASN 15 1.474 66.516 −21.106 1.00 56.17 ATOM 698 OASN 15 1.638 66.048 −19.944 1.00 57.59 ATOM 699 CB ASN 15 −0.349 66.258−22.857 1.00 58.61 ATOM 700 CG ASN 15 −1.826 65.843 −22.840 1.00 61.05ATOM 701 OD1 ASN 15 −2.439 65.713 −21.763 1.00 62.70 ATOM 702 ND2 ASN 15−2.407 65.626 −24.045 1.00 62.68 ATOM 703 N LEU 16 2.466 66.657 −21.9891.00 53.16 ATOM 704 CA LEU 16 3.873 66.273 −21.715 1.00 49.45 ATOM 705 CLEU 16 4.265 64.821 −22.049 1.00 46.26 ATOM 706 O LEU 16 3.774 63.857−21.428 1.00 45.34 ATOM 707 CB LEU 16 4.286 66.643 −20.281 1.00 50.00ATOM 708 CG LEU 16 5.106 67.898 −20.015 1.00 50.00 ATOM 709 CD1 LEU 164.760 69.101 −20.907 1.00 49.39 ATOM 710 CD2 LEU 16 5.019 68.235 −18.5151.00 49.75 ATOM 711 N PRO 17 5.144 64.662 −23.051 1.00 43.37 ATOM 712 CAPRO 17 5.673 63.318 −23.272 1.00 42.01 ATOM 713 C PRO 17 6.630 62.898−22.123 1.00 39.49 ATOM 714 O PRO 17 7.206 63.762 −21.457 1.00 38.46ATOM 715 CB PRO 17 6.387 63.410 −24.638 1.00 41.94 ATOM 716 CG PRO 176.625 64.921 −24.889 1.00 42.78 ATOM 717 CD PRO 17 5.660 65.673 −24.0041.00 43.71 ATOM 718 N ILE 18 6.757 61.587 −21.888 1.00 37.20 ATOM 719 CAILE 18 7.707 61.060 −20.889 1.00 34.81 ATOM 720 C ILE 18 8.860 60.366−21.617 1.00 34.48 ATOM 721 O ILE 18 8.658 59.400 −22.359 1.00 33.94ATOM 722 CB ILE 18 7.007 60.115 −19.844 1.00 35.33 ATOM 723 CG1 ILE 185.742 60.779 −19.284 1.00 34.34 ATOM 724 CG2 ILE 18 7.994 59.691 −18.7331.00 34.30 ATOM 725 CD1 ILE 18 4.965 60.057 −18.195 1.00 33.50 ATOM 726N TYR 50 9.592 55.233 −24.510 1.00 32.49 ATOM 727 CA TYR 50 9.011 56.572−24.698 1.00 33.92 ATOM 728 C TYR 50 7.472 56.559 −24.508 1.00 34.74ATOM 729 O TYR 50 6.795 55.620 −24.894 1.00 34.44 ATOM 730 CB TYR 509.391 57.083 −26.100 1.00 34.27 ATOM 731 CG TYR 50 8.732 58.354 −26.4971.00 34.16 ATOM 732 CD1 TYR 50 9.239 59.573 −26.086 1.00 34.55 ATOM 733CD2 TYR 50 7.621 58.344 −27.334 1.00 34.69 ATOM 734 CE1 TYR 50 8.61260.776 −26.451 1.00 34.91 ATOM 735 CE2 TYR 50 7.008 59.513 −27.724 1.0034.31 ATOM 736 CZ TYR 50 7.497 60.717 −27.280 1.00 34.93 ATOM 737 OH TYR50 6.858 61.883 −27.670 1.00 37.56 ATOM 738 N LEU 51 6.920 57.574−23.856 1.00 36.01 ATOM 739 CA LEU 51 5.459 57.628 −23.743 1.00 38.06ATOM 740 C LEU 51 4.970 58.946 −24.359 1.00 38.71 ATOM 741 O LEU 515.357 60.033 −23.891 1.00 38.72 ATOM 742 CB LEU 51 4.966 57.508 −22.2931.00 38.26 ATOM 743 CG LEU 51 3.483 57.129 −22.071 1.00 39.97 ATOM 744CD1 LEU 51 3.196 55.722 −22.569 1.00 41.59 ATOM 745 CD2 LEU 51 3.10657.206 −20.601 1.00 39.18 ATOM 746 N PRO 52 4.132 58.851 −25.410 1.0039.27 ATOM 747 CA PRO 52 3.607 60.049 −26.084 1.00 40.56 ATOM 748 C PRO52 2.762 60.931 −25.170 1.00 40.53 ATOM 749 O PRO 52 2.094 60.428−24.289 1.00 39.33 ATOM 750 CB PRO 52 2.720 59.470 −27.209 1.00 40.48ATOM 751 CG PRO 52 3.168 58.035 −27.390 1.00 40.75 ATOM 752 CD PRO 523.626 57.600 −26.013 1.00 39.83 ATOM 753 N ALA 53 2.808 62.240 −25.4201.00 42.43 ATOM 754 CA ALA 53 2.081 63.263 −24.663 1.00 44.05 ATOM 755 CALA 53 0.632 62.937 −24.238 1.00 46.03 ATOM 756 O ALA 53 0.269 63.114−23.079 1.00 45.37 ATOM 757 CB ALA 53 2.158 64.611 −25.400 1.00 44.31ATOM 758 N GLU 54 −0.201 62.432 −25.147 1.00 48.17 ATOM 759 CA GLU 54−1.588 62.156 −24.742 1.00 50.27 ATOM 760 C GLU 54 −1.866 60.696 −24.2981.00 50.27 ATOM 761 O GLU 54 −3.005 60.374 −23.975 1.00 50.60 ATOM 762CB GLU 54 −2.627 62.696 −25.771 1.00 50.47 ATOM 763 CG GLU 54 −2.72661.898 −27.079 1.00 52.14 ATOM 764 CD GLU 54 −3.853 62.381 −28.041 1.0052.30 ATOM 765 OE1 GLU 54 −3.510 63.067 −29.047 1.00 53.98 ATOM 766 OE2GLU 54 −5.059 62.074 −27.795 1.00 52.76 ATOM 767 N GLN 55 −0.842 59.833−24.264 1.00 49.80 ATOM 768 CA GLN 55 −1.008 58.463 −23.723 1.00 49.67ATOM 769 C GLN 55 −0.821 58.421 −22.204 1.00 49.52 ATOM 770 O GLN 550.162 58.960 −21.673 1.00 48.68 ATOM 771 CB GLN 55 −0.060 57.476 −24.4151.00 49.73 ATOM 772 CG GLN 55 −0.274 55.997 −24.053 1.00 49.02 ATOM 773CD GLN 55 0.539 55.065 −24.963 1.00 50.64 ATOM 774 OE1 GLN 55 0.79855.402 −26.127 1.00 50.76 ATOM 775 NE2 GLN 55 0.928 53.872 −24.442 1.0050.99 ATOM 776 N LYS 56 −1.761 57.772 −21.514 1.00 49.80 ATOM 777 CA LYS56 −1.878 57.919 −20.046 1.00 50.35 ATOM 778 C LYS 56 −0.832 57.125−19.269 1.00 48.93 ATOM 779 O LYS 56 −0.302 57.610 −18.259 1.00 48.73ATOM 780 CB LYS 56 −3.292 57.572 −19.523 1.00 50.57 ATOM 781 CG LYS 56−3.464 57.835 −18.019 1.00 51.80 ATOM 782 CD LYS 56 −4.918 57.915−17.578 1.00 53.30 ATOM 783 CE LYS 56 −5.380 56.598 −16.954 1.00 55.68ATOM 784 NZ LYS 56 −6.597 56.015 −17.633 1.00 59.22 ATOM 785 N GLY 57−0.585 55.903 −19.747 1.00 47.49 ATOM 786 CA GLY 57 0.319 54.958 −19.1311.00 45.82 ATOM 787 C GLY 57 0.834 53.928 −20.127 1.00 45.53 ATOM 788 OGLY 57 0.337 53.804 −21.261 1.00 44.75 ATOM 789 N THR 58 1.867 53.202−19.715 1.00 44.32 ATOM 790 CA THR 58 2.451 52.188 −20.551 1.00 43.57ATOM 791 C THR 58 1.880 50.881 −20.016 1.00 44.18 ATOM 792 O THR 580.915 50.906 −19.236 1.00 43.92 ATOM 793 CB THR 58 4.020 52.240 −20.5141.00 43.34 ATOM 794 OG1 THR 58 4.567 51.259 −21.411 1.00 42.06 ATOM 795CG2 THR 58 4.552 51.995 −19.087 1.00 41.24 ATOM 796 N HIS 59 2.48449.759 −20.416 1.00 44.36 ATOM 797 CA HIS 59 1.990 48.432 −20.089 1.0044.59 ATOM 798 C HIS 59 3.042 47.682 −19.315 1.00 43.83 ATOM 799 O HIS59 3.780 46.885 −19.885 1.00 42.81 ATOM 800 CB HIS 59 1.636 47.699−21.380 1.00 45.60 ATOM 801 CG HIS 59 0.703 48.482 −22.252 1.00 48.60ATOM 802 ND1 HIS 59 1.144 49.285 −23.288 1.00 51.29 ATOM 803 CD2 HIS 59−0.637 48.661 −22.180 1.00 50.27 ATOM 804 CE1 HIS 59 0.109 49.887−23.847 1.00 51.31 ATOM 805 NE2 HIS 59 −0.984 49.521 −23.198 1.00 52.01ATOM 806 N MET 60 3.060 47.922 −18.003 1.00 43.45 ATOM 807 CA MET 604.118 47.452 −17.111 1.00 43.58 ATOM 808 C MET 60 4.408 45.950 −17.1261.00 42.81 ATOM 809 O MET 60 5.568 45.558 −17.000 1.00 43.78 ATOM 810 CBMET 60 3.826 47.903 −15.662 1.00 44.75 ATOM 811 CG MET 60 3.874 49.424−15.481 1.00 45.80 ATOM 812 SD MET 60 5.554 50.030 −15.559 1.00 47.38ATOM 813 CE MET 60 5.341 51.725 −15.015 1.00 46.89 ATOM 814 N SER 613.378 45.104 −17.240 1.00 41.77 ATOM 815 CA SER 61 3.580 43.646 −17.1901.00 40.55 ATOM 816 C SER 61 4.316 43.095 −18.401 1.00 40.20 ATOM 817 OSER 61 4.872 41.980 −18.354 1.00 39.73 ATOM 818 CB SER 61 2.253 42.915−17.058 1.00 40.87 ATOM 819 OG SER 61 1.535 42.951 −18.286 1.00 42.74ATOM 820 N ARG 62 4.306 43.848 −19.502 1.00 38.76 ATOM 821 CA ARG 624.907 43.356 −20.760 1.00 37.81 ATOM 822 C ARG 62 6.430 43.334 −20.7081.00 36.60 ATOM 823 O ARG 62 7.053 42.553 −21.407 1.00 35.27 ATOM 824 CBARG 62 4.471 44.223 −21.946 1.00 38.07 ATOM 825 CG ARG 62 2.986 44.333−22.103 1.00 37.78 ATOM 826 CD ARG 62 2.650 44.941 −23.453 1.00 37.88ATOM 827 NE ARG 62 1.202 45.064 −23.598 1.00 37.07 ATOM 828 CZ ARG 620.569 45.715 −24.579 1.00 37.18 ATOM 829 NH1 ARG 62 1.229 46.323 −25.5711.00 37.21 ATOM 830 NH2 ARG 62 −0.745 45.735 −24.564 1.00 35.43 ATOM 831N PHE 63 7.029 44.222 −19.900 1.00 36.09 ATOM 832 CA PHE 63 8.464 44.216−19.720 1.00 35.73 ATOM 833 C PHE 63 8.893 42.871 −19.109 1.00 36.45ATOM 834 O PHE 63 9.793 42.213 −19.617 1.00 36.12 ATOM 835 CB PHE 638.934 45.382 −18.850 1.00 35.41 ATOM 836 CG PHE 63 8.621 46.727 −19.4131.00 34.78 ATOM 837 CD1 PHE 63 9.340 47.217 −20.503 1.00 32.25 ATOM 838CD2 PHE 63 7.598 47.499 −18.852 1.00 33.93 ATOM 839 CE1 PHE 63 9.07448.487 −21.031 1.00 32.28 ATOM 840 CE2 PHE 63 7.303 48.777 −19.376 1.0034.29 ATOM 841 CZ PHE 63 8.050 49.274 −20.464 1.00 33.57 ATOM 842 N VAL64 8.236 42.472 −18.020 1.00 37.27 ATOM 843 CA VAL 64 8.517 41.190−17.375 1.00 37.13 ATOM 844 C VAL 64 8.161 40.006 −18.267 1.00 38.00ATOM 845 O VAL 64 8.928 39.046 −18.346 1.00 38.05 ATOM 846 CB VAL 647.771 41.072 −15.995 1.00 37.68 ATOM 847 CG1 VAL 64 7.969 39.680 −15.3481.00 35.90 ATOM 848 CG2 VAL 64 8.246 42.118 −15.051 1.00 35.99 ATOM 849N ALA 65 6.995 40.064 −18.920 1.00 39.07 ATOM 850 CA ALA 65 6.604 39.084−19.959 1.00 39.65 ATOM 851 C ALA 65 7.709 38.860 −20.985 1.00 39.89ATOM 852 O ALA 65 8.040 37.714 −21.288 1.00 40.81 ATOM 853 CB ALA 655.314 39.527 −20.661 1.00 39.83 ATOM 854 N ALA 88 8.500 47.251 −29.9831.00 37.69 ATOM 855 CA ALA 88 7.412 46.662 −30.793 1.00 39.22 ATOM 856 CALA 88 6.275 46.238 −29.879 1.00 39.76 ATOM 857 O ALA 88 5.118 46.646−30.063 1.00 40.54 ATOM 858 CB ALA 88 7.930 45.445 −31.529 1.00 39.27ATOM 859 N LEU 89 6.607 45.422 −28.880 1.00 39.88 ATOM 860 CA LEU 895.615 44.873 −27.936 1.00 40.55 ATOM 861 C LEU 89 4.903 45.956 −27.0961.00 39.98 ATOM 862 O LEU 89 3.701 45.889 −26.799 1.00 40.50 ATOM 863 CBLEU 89 6.293 43.838 −27.020 1.00 40.81 ATOM 864 CG LEU 89 5.482 43.171−25.912 1.00 41.42 ATOM 865 CD1 LEU 89 4.311 42.388 −26.507 1.00 43.86ATOM 866 CD2 LEU 89 6.373 42.242 −25.071 1.00 41.85 ATOM 867 N LEU 905.634 46.969 −26.699 1.00 39.63 ATOM 868 CA LEU 90 4.988 48.003 −25.9341.00 39.66 ATOM 869 C LEU 90 4.345 49.029 −26.854 1.00 39.64 ATOM 870 OLEU 90 3.830 50.045 −26.394 1.00 40.47 ATOM 871 CB LEU 90 5.975 48.630−24.943 1.00 38.91 ATOM 872 CG LEU 90 5.850 47.641 −23.753 1.00 40.39ATOM 873 CD1 LEU 90 7.044 46.740 −23.526 1.00 36.51 ATOM 874 CD2 LEU 905.400 48.294 −22.503 1.00 38.67 ATOM 875 N ASP 91 4.389 48.771 −28.1591.00 40.21 ATOM 876 CA ASP 91 3.915 49.746 −29.157 1.00 39.95 ATOM 877 CASP 91 4.453 51.174 −28.929 1.00 38.80 ATOM 878 O ASP 91 3.678 52.138−28.926 1.00 38.19 ATOM 879 CB ASP 91 2.355 49.735 −29.285 1.00 40.89ATOM 880 CG ASP 91 1.796 48.482 −30.023 1.00 43.50 ATOM 881 OD1 ASP 912.494 47.945 −30.931 1.00 46.25 ATOM 882 OD2 ASP 91 0.645 48.039 −29.7231.00 42.88 ATOM 883 N SER 92 5.775 51.327 −28.785 1.00 38.12 ATOM 884 CASER 92 6.384 52.673 −28.609 1.00 37.45 ATOM 885 C SER 92 7.380 53.024−29.694 1.00 38.08 ATOM 886 O SER 92 7.959 52.116 −30.317 1.00 38.79ATOM 887 CB SER 92 7.087 52.787 −27.263 1.00 37.32 ATOM 888 OG SER 927.773 54.032 −27.125 1.00 36.68 ATOM 889 N LYS 107 7.304 31.282 −9.8801.00 44.36 ATOM 890 CA LYS 107 5.973 31.471 −9.312 1.00 44.70 ATOM 891 CLYS 107 4.898 31.462 −10.414 1.00 45.13 ATOM 892 O LYS 107 5.213 31.577−11.615 1.00 44.87 ATOM 893 CB LYS 107 5.919 32.750 −8.473 1.00 44.28ATOM 894 CG LYS 107 7.016 32.816 −7.384 1.00 43.47 ATOM 895 CD LYS 1076.748 33.964 −6.423 1.00 41.18 ATOM 896 CE LYS 107 5.476 33.665 −5.6041.00 42.21 ATOM 897 NZ LYS 107 5.334 34.534 −4.400 1.00 40.46 ATOM 898 NTHR 108 3.641 31.306 −9.996 1.00 45.84 ATOM 899 CA THR 108 2.494 31.304−10.901 1.00 46.81 ATOM 900 C THR 108 1.453 32.309 −10.397 1.00 47.68ATOM 901 O THR 108 1.123 32.321 −9.198 1.00 47.71 ATOM 902 CB THR 1081.900 29.856 −11.037 1.00 47.35 ATOM 903 OG1 THR 108 2.963 28.918−11.302 1.00 47.19 ATOM 904 CG2 THR 108 0.851 29.771 −12.172 1.00 47.03ATOM 905 N ALA 109 0.950 33.160 −11.299 1.00 48.80 ATOM 906 CA ALA 109−0.043 34.185 −10.948 1.00 50.14 ATOM 907 C ALA 109 −1.364 33.551−10.468 1.00 51.03 ATOM 908 O ALA 109 −1.770 32.504 −11.004 1.00 51.15ATOM 909 CB ALA 109 −0.284 35.142 −12.127 1.00 50.35 ATOM 910 N PRO 110−2.009 34.152 −9.427 1.00 51.43 ATOM 911 CA PRO 110 −3.180 33.513 −8.8591.00 51.94 ATOM 912 C PRO 110 −4.394 33.383 −9.798 1.00 52.99 ATOM 913 OPRO 110 −5.175 32.458 −9.609 1.00 52.84 ATOM 914 CB PRO 110 −3.51734.391 −7.639 1.00 51.48 ATOM 915 CG PRO 110 −2.880 35.653 −7.863 1.0051.48 ATOM 916 CD PRO 110 −1.654 35.384 −8.684 1.00 51.45 ATOM 917 N VAL111 −4.578 34.275 −10.780 1.00 53.92 ATOM 918 CA VAL 111 −5.756 34.118−11.660 1.00 55.03 ATOM 919 C VAL 111 −5.429 33.593 −13.057 1.00 55.25ATOM 920 O VAL 111 −5.957 32.542 −13.469 1.00 55.19 ATOM 921 CB VAL 111−6.709 35.358 −11.692 1.00 55.46 ATOM 922 CG1 VAL 111 −7.959 35.069−12.557 1.00 54.84 ATOM 923 CG2 VAL 111 −7.125 35.738 −10.262 1.00 55.47ATOM 924 N SER 112 −4.559 34.318 −13.764 1.00 55.19 ATOM 925 CA SER 112−4.113 33.921 −15.099 1.00 55.31 ATOM 926 C SER 112 −3.377 32.568−15.158 1.00 54.97 ATOM 927 O SER 112 −3.518 31.843 −16.147 1.00 54.91ATOM 928 CB SER 112 −3.256 35.021 −15.742 1.00 55.47 ATOM 929 OG SER 112−2.087 35.299 −14.963 1.00 56.21 ATOM 930 N GLY 113 −2.614 32.231−14.106 1.00 54.62 ATOM 931 CA GLY 113 −1.646 31.105 −14.149 1.00 53.64ATOM 932 C GLY 113 −0.355 31.398 −14.943 1.00 53.03 ATOM 933 O GLY 1130.471 30.491 −15.166 1.00 52.84 ATOM 934 N ILE 114 −0.174 32.648 −15.3841.00 52.24 ATOM 935 CA ILE 114 1.092 33.059 −16.020 1.00 52.01 ATOM 936C ILE 114 2.254 32.953 −14.992 1.00 51.48 ATOM 937 O ILE 114 2.10033.306 −13.808 1.00 50.80 ATOM 938 CB ILE 114 1.024 34.485 −16.667 1.0052.23 ATOM 939 CG1 ILE 114 −0.088 34.569 −17.722 1.00 53.68 ATOM 940 CG2ILE 114 2.337 34.836 −17.370 1.00 51.30 ATOM 941 CD1 ILE 114 −0.41836.006 −18.174 1.00 53.39 ATOM 942 N ARG 115 3.393 32.431 −15.450 1.0050.22 ATOM 943 CA ARG 115 4.520 32.157 −14.576 1.00 49.39 ATOM 944 C ARG115 5.561 33.264 −14.723 1.00 47.82 ATOM 945 O ARG 115 5.733 33.834−15.820 1.00 46.47 ATOM 946 CB ARG 115 5.159 30.795 −14.893 1.00 50.41ATOM 947 CG ARG 115 4.234 29.581 −14.773 1.00 53.80 ATOM 948 CD ARG 1154.782 28.481 −15.657 1.00 58.84 ATOM 949 NE ARG 115 5.550 27.503 −14.8851.00 64.83 ATOM 950 CZ ARG 115 6.714 26.970 −15.257 1.00 61.10 ATOM 951NH1 ARG 115 7.313 27.346 −16.394 1.00 65.93 ATOM 952 NH2 ARG 115 7.30026.079 −14.454 1.00 66.59 ATOM 953 N SER 116 6.238 33.551 −13.609 1.0045.50 ATOM 954 CA SER 116 7.398 34.421 −13.565 1.00 44.28 ATOM 955 C SER116 8.251 34.043 −12.346 1.00 43.63 ATOM 956 O SER 116 7.748 33.370−11.418 1.00 43.82 ATOM 957 CB SER 116 6.977 35.896 −13.499 1.00 44.12ATOM 958 OG SER 116 6.181 36.157 −12.365 1.00 44.28 ATOM 959 N VAL 1437.390 40.308 1.006 1.00 34.49 ATOM 960 CA VAL 143 5.966 40.088 0.9771.00 36.54 ATOM 961 C VAL 143 5.257 41.433 0.907 1.00 37.50 ATOM 962 OVAL 143 5.873 42.489 1.010 1.00 37.31 ATOM 963 CB VAL 143 5.435 39.2932.220 1.00 36.15 ATOM 964 CG1 VAL 143 6.186 37.974 2.420 1.00 36.77 ATOM965 CG2 VAL 143 5.542 40.117 3.443 1.00 35.72 ATOM 966 N THR 144 3.95741.377 0.692 1.00 40.85 ATOM 967 CA THR 144 3.070 42.530 0.876 1.0043.22 ATOM 968 C THR 144 2.496 42.480 2.296 1.00 45.07 ATOM 969 O THR144 2.017 41.407 2.764 1.00 44.61 ATOM 970 CB THR 144 1.904 42.500−0.137 1.00 43.97 ATOM 971 OG1 THR 144 2.430 42.246 −1.451 1.00 45.02ATOM 972 CG2 THR 144 1.090 43.816 −0.134 1.00 43.92 ATOM 973 N SER 1452.564 43.631 2.974 1.00 46.62 ATOM 974 CA SER 145 1.899 43.833 4.2741.00 48.13 ATOM 975 C SER 145 0.841 44.916 4.119 1.00 48.74 ATOM 976 OSER 145 1.058 45.904 3.417 1.00 48.82 ATOM 977 CB SER 145 2.886 44.2195.384 1.00 48.45 ATOM 978 OG SER 145 3.671 45.353 5.036 1.00 50.19 ATOM979 N LEU 146 −0.314 44.700 4.746 1.00 49.98 ATOM 980 CA LEU 146 −1.42745.665 4.705 1.00 50.76 ATOM 981 C LEU 146 −1.915 45.944 6.134 1.0051.52 ATOM 982 O LEU 146 −2.141 45.001 6.927 1.00 51.71 ATOM 983 CB LEU146 −2.560 45.172 3.800 1.00 50.62 ATOM 984 CG LEU 146 −3.742 46.1413.605 1.00 50.27 ATOM 985 CD1 LEU 146 −4.266 46.212 2.164 1.00 49.21ATOM 986 CD2 LEU 146 −4.852 45.785 4.576 1.00 50.20 ATOM 987 N CYS 147−2.050 47.225 6.469 1.00 51.52 ATOM 988 CA CYS 147 −2.304 47.618 7.8491.00 52.46 ATOM 989 C CYS 147 −3.773 47.476 8.331 1.00 53.73 ATOM 990 OCYS 147 −4.690 48.126 7.788 1.00 53.40 ATOM 991 CB CYS 147 −1.804 49.0458.098 1.00 52.50 ATOM 992 SG CYS 147 −2.131 49.620 9.803 1.00 51.33 ATOM993 N PRO 148 −3.988 46.676 9.400 1.00 54.93 ATOM 994 CA PRO 148 −5.37346.445 9.860 1.00 55.87 ATOM 995 C PRO 148 −6.026 47.721 10.446 1.0056.77 ATOM 996 O PRO 148 −7.222 47.975 10.198 1.00 56.68 ATOM 997 CB PRO148 −5.243 45.321 10.909 1.00 55.91 ATOM 998 CG PRO 148 −3.778 45.20411.232 1.00 55.66 ATOM 999 CD PRO 148 −2.970 45.996 10.237 1.00 55.10ATOM 1000 N CYS 149 −5.232 48.520 11.172 1.00 57.41 ATOM 1001 CA CYS 149−5.692 49.783 11.765 1.00 57.40 ATOM 1002 C CYS 149 −6.185 50.769 10.6851.00 57.29 ATOM 1003 O CYS 149 −7.265 51.377 10.819 1.00 56.51 ATOM 1004CB CYS 149 −4.577 50.414 12.613 1.00 57.61 ATOM 1005 SG CYS 149 −5.10651.912 13.511 1.00 59.83 ATOM 1006 N SER 150 −5.389 50.903 9.621 1.0057.10 ATOM 1007 CA SER 150 −5.755 51.690 8.438 1.00 57.37 ATOM 1008 CSER 150 −7.159 51.333 7.927 1.00 57.54 ATOM 1009 O SER 150 −8.069 52.1777.942 1.00 56.90 ATOM 1010 CB SER 150 −4.699 51.512 7.315 1.00 57.56ATOM 1011 OG SER 150 −4.960 52.364 6.196 1.00 56.24 ATOM 1012 N LYS 151−7.325 50.085 7.480 1.00 58.20 ATOM 1013 CA LYS 151 −8.614 49.594 6.9801.00 58.78 ATOM 1014 C LYS 151 −9.768 49.902 7.953 1.00 59.60 ATOM 1015O LYS 151 −10.820 50.440 7.548 1.00 59.74 ATOM 1016 CB LYS 151 −8.53048.085 6.737 1.00 58.67 ATOM 1017 CG LYS 151 −9.859 47.424 6.372 1.0057.80 ATOM 1018 CD LYS 151 −9.711 45.907 6.375 1.00 57.00 ATOM 1019 CELYS 151 −10.975 45.229 5.868 1.00 56.13 ATOM 1020 NZ LYS 151 −10.70643.817 5.487 1.00 54.37 ATOM 1021 N GLU 152 −9.526 49.553 9.222 1.0060.08 ATOM 1022 CA GLU 152 −10.491 49.562 10.326 1.00 60.84 ATOM 1023 CGLU 152 −11.066 50.953 10.619 1.00 60.69 ATOM 1024 O GLU 152 −12.25751.097 10.912 1.00 60.54 ATOM 1025 CB GLU 152 −9.782 49.041 11.572 1.0061.06 ATOM 1026 CG GLU 152 −10.668 48.560 12.727 1.00 64.00 ATOM 1027 CDGLU 152 −9.947 47.510 13.573 1.00 65.38 ATOM 1028 OE1 GLU 152 −8.78447.741 13.986 1.00 65.59 ATOM 1029 OE2 GLU 152 −10.537 46.433 13.7941.00 67.79 ATOM 1030 N ILE 153 −10.199 51.961 10.551 1.00 60.40 ATOM1031 CA ILE 153 −10.560 53.332 10.885 1.00 59.97 ATOM 1032 C ILE 153−11.005 54.133 9.649 1.00 59.93 ATOM 1033 O ILE 153 −11.676 55.165 9.8061.00 59.92 ATOM 1034 CB ILE 153 −9.396 54.075 11.633 1.00 60.11 ATOM1035 CG1 ILE 153 −8.231 54.409 10.666 1.00 59.91 ATOM 1036 CG2 ILE 153−8.954 53.279 12.886 1.00 59.57 ATOM 1037 CD1 ILE 153 −7.180 55.33311.244 1.00 59.73 ATOM 1038 N SER 154 −10.639 53.658 8.442 1.00 59.44ATOM 1039 CA SER 154 −10.934 54.374 7.191 1.00 59.16 ATOM 1040 C SER 154−12.228 53.896 6.536 1.00 59.11 ATOM 1041 O SER 154 −12.506 52.691 6.5061.00 58.66 ATOM 1042 CB SER 154 −9.777 54.261 6.179 1.00 59.05 ATOM 1043OG SER 154 −8.528 54.531 6.786 1.00 58.46 ATOM 1044 N GLN 155 −12.99854.846 5.992 1.00 59.19 ATOM 1045 CA GLN 155 −14.252 54.533 5.279 1.0059.20 ATOM 1046 C GLN 155 −13.990 53.778 3.969 1.00 58.56 ATOM 1047 OGLN 155 −14.872 53.076 3.441 1.00 58.43 ATOM 1048 CB GLN 155 −15.10355.800 5.037 1.00 59.42 ATOM 1049 CG GLN 155 −14.478 56.873 4.109 1.0059.96 ATOM 1050 CD GLN 155 −15.294 58.185 4.047 1.00 60.84 ATOM 1051 OE1GLN 155 −16.514 58.161 3.833 1.00 63.53 ATOM 1052 NE2 GLN 155 −14.61359.330 4.221 1.00 61.62 ATOM 1053 N TYR 156 −12.775 53.941 3.447 1.0057.89 ATOM 1054 CA TYR 156 −12.301 53.176 2.290 1.00 57.36 ATOM 1055 CTYR 156 −10.756 53.110 2.288 1.00 56.68 ATOM 1056 O TYR 156 −10.08053.992 2.857 1.00 55.91 ATOM 1057 CB TYR 156 −12.874 53.721 0.957 1.0057.64 ATOM 1058 CG TYR 156 −13.016 55.246 0.860 1.00 59.03 ATOM 1059 CD1TYR 156 −11.895 56.095 0.994 1.00 59.96 ATOM 1060 CD2 TYR 156 −14.26855.842 0.624 1.00 60.16 ATOM 1061 CE1 TYR 156 −12.014 57.502 0.915 1.0059.50 ATOM 1062 CE2 TYR 156 −14.399 57.259 0.535 1.00 60.74 ATOM 1063 CZTYR 156 −13.260 58.074 0.684 1.00 59.41 ATOM 1064 OH TYR 156 −13.35559.446 0.586 1.00 58.74 ATOM 1065 N GLY 157 −10.224 52.039 1.686 1.0055.88 ATOM 1066 CA GLY 157 −8.782 51.868 1.486 1.00 54.70 ATOM 1067 CGLY 157 −8.046 51.479 2.750 1.00 53.87 ATOM 1068 O GLY 157 −8.628 51.4323.838 1.00 53.85 ATOM 1069 N ALA 158 −6.753 51.209 2.600 1.00 53.06 ATOM1070 CA ALA 158 −5.889 50.782 3.704 1.00 52.34 ATOM 1071 C ALA 158−4.458 50.847 3.233 1.00 51.79 ATOM 1072 O ALA 158 −4.116 50.287 2.1761.00 51.74 ATOM 1073 CB ALA 158 −6.210 49.355 4.162 1.00 52.30 ATOM 1074N HIS 159 −3.601 51.501 4.006 1.00 50.50 ATOM 1075 CA HIS 159 −2.24551.643 3.514 1.00 49.70 ATOM 1076 C HIS 159 −1.569 50.272 3.570 1.0049.57 ATOM 1077 O HIS 159 −1.826 49.451 4.477 1.00 49.86 ATOM 1078 CBHIS 159 −1.439 52.721 4.251 1.00 48.45 ATOM 1079 CG HIS 159 −0.80152.256 5.524 1.00 45.98 ATOM 1080 ND1 HIS 159 0.410 51.592 5.551 1.0043.16 ATOM 1081 CD2 HIS 159 −1.178 52.409 6.819 1.00 42.93 ATOM 1082 CE1HIS 159 0.738 51.332 6.808 1.00 42.42 ATOM 1083 NE2 HIS 159 −0.19451.841 7.595 1.00 39.71 ATOM 1084 N ASN 160 −0.746 50.036 2.560 1.0049.49 ATOM 1085 CA ASN 160 0.054 48.826 2.464 1.00 48.81 ATOM 1086 C ASN160 1.412 49.196 1.879 1.00 48.38 ATOM 1087 O ASN 160 1.642 50.351 1.4621.00 47.84 ATOM 1088 CB ASN 160 −0.673 47.719 1.658 1.00 48.67 ATOM 1089CG ASN 160 −1.276 48.224 0.336 1.00 48.57 ATOM 1090 OD1 ASN 160 −2.38448.761 0.308 1.00 49.39 ATOM 1091 ND2 ASN 160 −0.557 48.011 −0.762 1.0047.12 ATOM 1092 N GLN 161 2.316 48.217 1.878 1.00 47.92 ATOM 1093 CA GLN161 3.710 48.431 1.502 1.00 47.53 ATOM 1094 C GLN 161 4.428 47.094 1.4011.00 47.31 ATOM 1095 O GLN 161 3.974 46.067 1.960 1.00 47.48 ATOM 1096CB GLN 161 4.425 49.306 2.542 1.00 47.08 ATOM 1097 CG GLN 161 4.32048.769 3.982 1.00 47.63 ATOM 1098 CD GLN 161 3.004 49.124 4.648 1.0048.13 ATOM 1099 OE1 GLN 161 2.504 50.254 4.487 1.00 47.49 ATOM 1100 NE2GLN 161 2.426 48.171 5.397 1.00 48.31 ATOM 1101 N ARG 162 5.536 47.1070.668 1.00 46.28 ATOM 1102 CA ARG 162 6.427 45.985 0.704 1.00 45.81 ATOM1103 C ARG 162 7.032 45.827 2.125 1.00 45.47 ATOM 1104 O ARG 162 7.24546.815 2.901 1.00 44.60 ATOM 1105 CB ARG 162 7.495 46.072 −0.389 1.0045.64 ATOM 1106 CG ARG 162 7.999 44.727 −0.859 1.00 45.77 ATOM 1107 CDARG 162 9.102 44.932 −1.931 1.00 46.20 ATOM 1108 NE ARG 162 8.617 45.631−3.121 1.00 43.09 ATOM 1109 CZ ARG 162 9.405 46.253 −4.011 1.00 45.13ATOM 1110 NH1 ARG 162 10.739 46.260 −3.862 1.00 43.75 ATOM 1111 NH2 ARG162 8.864 46.850 −5.077 1.00 44.59 ATOM 1112 N SER 163 7.246 44.5622.479 1.00 44.43 ATOM 1113 CA SER 163 7.914 44.274 3.716 1.00 43.91 ATOM1114 C SER 163 8.854 43.089 3.548 1.00 42.32 ATOM 1115 O SER 163 8.59742.184 2.760 1.00 43.00 ATOM 1116 CB SER 163 6.887 44.120 4.856 1.0044.01 ATOM 1117 OG SER 163 6.306 42.851 4.855 1.00 47.10 ATOM 1118 N ASP182 7.974 29.007 1.900 1.00 30.08 ATOM 1119 CA ASP 182 6.555 28.6642.064 1.00 31.00 ATOM 1120 C ASP 182 6.038 28.954 3.464 1.00 31.45 ATOM1121 O ASP 182 4.964 29.497 3.592 1.00 32.21 ATOM 1122 CB ASP 182 6.25327.215 1.669 1.00 31.45 ATOM 1123 CG ASP 182 6.358 27.000 0.194 1.0033.00 ATOM 1124 OD1 ASP 182 6.060 27.921 −0.589 1.00 38.70 ATOM 1125 OD2ASP 182 6.807 25.947 −0.202 1.00 33.35 ATOM 1126 N TYR 183 6.801 28.6444.512 1.00 31.67 ATOM 1127 CA TYR 183 6.346 29.041 5.878 1.00 31.88 ATOM1128 C TYR 183 5.996 30.528 6.001 1.00 31.33 ATOM 1129 O TYR 183 5.07930.907 6.769 1.00 31.50 ATOM 1130 CB TYR 183 7.407 28.725 6.959 1.0032.44 ATOM 1131 CG TYR 183 7.509 27.281 7.389 1.00 32.80 ATOM 1132 CD1TYR 183 6.354 26.511 7.666 1.00 34.47 ATOM 1133 CD2 TYR 183 8.759 26.6917.578 1.00 32.37 ATOM 1134 CE1 TYR 183 6.468 25.173 8.101 1.00 33.02ATOM 1135 CE2 TYR 183 8.889 25.375 7.983 1.00 31.79 ATOM 1136 CZ TYR 1837.731 24.613 8.253 1.00 33.92 ATOM 1137 OH TYR 183 7.879 23.303 8.6891.00 34.75 ATOM 1138 N VAL 184 6.739 31.384 5.299 1.00 31.13 ATOM 1139CA VAL 184 6.472 32.854 5.349 1.00 30.51 ATOM 1140 C VAL 184 5.33833.275 4.441 1.00 31.17 ATOM 1141 O VAL 184 4.415 33.963 4.858 1.0031.57 ATOM 1142 CB VAL 184 7.746 33.709 4.997 1.00 30.57 ATOM 1143 CG1VAL 184 7.398 35.230 5.041 1.00 29.99 ATOM 1144 CG2 VAL 184 8.844 33.4185.995 1.00 31.45 ATOM 1145 N GLU 185 5.420 32.877 3.173 1.00 31.99 ATOM1146 CA GLU 185 4.476 33.324 2.159 1.00 33.75 ATOM 1147 C GLU 185 3.06132.880 2.469 1.00 35.59 ATOM 1148 O GLU 185 2.087 33.607 2.163 1.0034.88 ATOM 1149 CB GLU 185 4.923 32.870 0.764 1.00 33.52 ATOM 1150 CGGLU 185 6.124 33.693 0.249 1.00 34.66 ATOM 1151 CD GLU 185 6.472 33.332−1.180 1.00 37.62 ATOM 1152 OE1 GLU 185 6.132 32.170 −1.552 1.00 34.07ATOM 1153 OE2 GLU 185 7.071 34.197 −1.905 1.00 39.40 ATOM 1154 N THR 1862.962 31.717 3.113 1.00 37.29 ATOM 1155 CA THR 186 1.671 31.201 3.5811.00 39.44 ATOM 1156 C THR 186 0.997 32.210 4.470 1.00 39.55 ATOM 1157 OTHR 186 −0.216 32.385 4.416 1.00 39.96 ATOM 1158 CB THR 186 1.831 29.9104.351 1.00 39.43 ATOM 1159 OG1 THR 186 1.926 28.849 3.413 1.00 41.26ATOM 1160 CG2 THR 186 0.608 29.660 5.263 1.00 42.27 ATOM 1161 N GLN 1871.809 32.893 5.263 1.00 40.30 ATOM 1162 CA GLN 187 1.310 33.776 6.3051.00 40.35 ATOM 1163 C GLN 187 1.120 35.216 5.847 1.00 40.86 ATOM 1164 OGLN 187 0.467 36.006 6.546 1.00 40.53 ATOM 1165 CB GLN 187 2.233 33.7307.547 1.00 40.36 ATOM 1166 CG GLN 187 2.314 32.345 8.228 1.00 39.80 ATOM1167 CD GLN 187 0.947 31.843 8.653 1.00 39.36 ATOM 1168 OE1 GLN 1870.005 32.637 8.777 1.00 39.91 ATOM 1169 NE2 GLN 187 0.828 30.533 8.8871.00 35.15 ATOM 1170 N ALA 188 1.671 35.577 4.691 1.00 41.85 ATOM 1171CA ALA 188 1.614 36.982 4.252 1.00 43.17 ATOM 1172 C ALA 188 0.19237.478 4.004 1.00 43.55 ATOM 1173 O ALA 188 −0.660 36.705 3.577 1.0043.98 ATOM 1174 CB ALA 188 2.520 37.221 2.984 1.00 43.74 ATOM 1175 N SER189 −0.068 38.764 4.297 1.00 44.60 ATOM 1176 CA SER 189 −1.298 39.4433.803 1.00 45.06 ATOM 1177 C SER 189 −1.502 39.047 2.327 1.00 45.29 ATOM1178 O SER 189 −2.600 38.660 1.911 1.00 45.23 ATOM 1179 CB SER 189−1.173 40.985 3.887 1.00 45.28 ATOM 1180 OG SER 189 −1.596 41.515 5.1331.00 44.89 ATOM 1181 N CYS 190 −0.429 39.195 1.550 1.00 45.95 ATOM 1182CA CYS 190 −0.320 38.624 0.189 1.00 46.60 ATOM 1183 C CYS 190 1.14838.554 −0.259 1.00 46.70 ATOM 1184 O CYS 190 1.985 39.389 0.126 1.0046.76 ATOM 1185 CB CYS 190 −1.153 39.403 −0.841 1.00 46.68 ATOM 1186 SGCYS 190 −1.465 38.481 −2.425 1.00 48.51 ATOM 1187 N GLN 191 1.450 37.547−1.064 1.00 46.03 ATOM 1188 CA GLN 191 2.796 37.394 −1.622 1.00 46.34ATOM 1189 C GLN 191 2.995 38.173 −2.921 1.00 45.74 ATOM 1190 O GLN 1912.041 38.669 −3.533 1.00 45.80 ATOM 1191 CB GLN 191 3.115 35.919 −1.8561.00 46.24 ATOM 1192 CG GLN 191 1.986 35.180 −2.522 1.00 46.12 ATOM 1193CD GLN 191 2.257 33.712 −2.616 1.00 45.71 ATOM 1194 OE1 GLN 191 3.12833.300 −3.362 1.00 42.50 ATOM 1195 NE2 GLN 191 1.513 32.902 −1.839 1.0047.50 ATOM 1196 N LEU 192 4.251 38.244 −3.341 1.00 45.93 ATOM 1197 CALEU 192 4.634 39.027 −4.508 1.00 45.42 ATOM 1198 C LEU 192 4.759 38.161−5.762 1.00 45.84 ATOM 1199 O LEU 192 5.036 36.946 −5.694 1.00 45.09ATOM 1200 CB LEU 192 5.940 39.784 −4.234 1.00 45.16 ATOM 1201 CG LEU 1925.993 40.741 −3.044 1.00 43.78 ATOM 1202 CD1 LEU 192 7.329 41.465 −3.0161.00 43.93 ATOM 1203 CD2 LEU 192 4.893 41.763 −3.093 1.00 43.70 ATOM1204 N TYR 193 4.520 38.805 −6.906 1.00 45.73 ATOM 1205 CA TYR 193 4.75638.202 −8.203 1.00 45.73 ATOM 1206 C TYR 193 5.404 39.253 −9.120 1.0046.31 ATOM 1207 O TYR 193 5.035 40.453 −9.095 1.00 45.28 ATOM 1208 CBTYR 193 3.445 37.682 −8.812 1.00 45.20 ATOM 1209 CG TYR 193 2.638 36.729−7.907 1.00 44.11 ATOM 1210 CD1 TYR 193 2.823 35.342 −7.964 1.00 43.87ATOM 1211 CD2 TYR 193 1.683 37.234 −6.998 1.00 44.60 ATOM 1212 CE1 TYR193 2.068 34.476 −7.143 1.00 43.56 ATOM 1213 CE2 TYR 193 0.930 36.391−6.190 1.00 42.74 ATOM 1214 CZ TYR 193 1.133 35.011 −6.273 1.00 42.90ATOM 1215 OH TYR 193 0.401 34.193 −5.474 1.00 44.37 ATOM 1216 N GLY 1946.385 38.797 −9.896 1.00 47.12 ATOM 1217 CA GLY 194 6.981 39.619 −10.9361.00 48.68 ATOM 1218 C GLY 194 5.913 40.033 −11.934 1.00 49.53 ATOM 1219O GLY 194 5.722 41.237 −12.171 1.00 49.81 ATOM 1220 N LEU 195 5.18839.052 −12.482 1.00 50.33 ATOM 1221 CA LEU 195 4.240 39.325 −13.579 1.0051.06 ATOM 1222 C LEU 195 2.784 39.075 −13.193 1.00 52.16 ATOM 1223 OLEU 195 2.389 37.931 −12.837 1.00 51.75 ATOM 1224 CB LEU 195 4.61238.531 −14.840 1.00 50.86 ATOM 1225 CG LEU 195 3.940 38.802 −16.195 1.0050.48 ATOM 1226 CD1 LEU 195 4.719 38.065 −17.275 1.00 49.39 ATOM 1227CD2 LEU 195 2.516 38.279 −16.207 1.00 51.52 ATOM 1228 N LEU 196 1.99040.143 −13.290 1.00 53.08 ATOM 1229 CA LEU 196 0.583 40.080 −12.936 1.0055.19 ATOM 1230 C LEU 196 −0.282 40.642 −14.069 1.00 56.77 ATOM 1231 OLEU 196 0.000 41.715 −14.604 1.00 56.95 ATOM 1232 CB LEU 196 0.32640.816 −11.612 1.00 54.79 ATOM 1233 CG LEU 196 0.949 40.185 −10.346 1.0055.32 ATOM 1234 CD1 LEU 196 0.931 41.147 −9.136 1.00 54.75 ATOM 1235 CD2LEU 196 0.317 38.807 −9.990 1.00 54.04 ATOM 1236 N LYS 197 −1.314 39.901−14.463 1.00 58.59 ATOM 1237 CA LYS 197 −2.334 40.487 −15.353 1.00 60.40ATOM 1238 C LYS 197 −3.393 41.246 −14.545 1.00 60.81 ATOM 1239 O LYS 197−3.364 41.225 −13.294 1.00 60.59 ATOM 1240 CB LYS 197 −2.941 39.450−16.316 1.00 60.82 ATOM 1241 CG LYS 197 −2.344 39.536 −17.753 1.00 63.00ATOM 1242 CD LYS 197 −0.793 39.432 −17.781 1.00 64.23 ATOM 1243 CE LYS197 −0.195 39.552 −19.202 1.00 64.55 ATOM 1244 NZ LYS 197 −0.184 40.949−19.739 1.00 64.56 ATOM 1245 N ARG 198 −4.289 41.941 −15.256 1.00 61.03ATOM 1246 CA ARG 198 −5.388 42.674 −14.631 1.00 61.98 ATOM 1247 C ARG198 −6.168 41.862 −13.574 1.00 61.01 ATOM 1248 O ARG 198 −6.279 42.298−12.435 1.00 60.94 ATOM 1249 CB ARG 198 −6.332 43.276 −15.690 1.00 62.12ATOM 1250 CG ARG 198 −6.388 44.804 −15.679 1.00 64.00 ATOM 1251 CD ARG198 −6.848 45.429 −17.028 1.00 64.71 ATOM 1252 NE ARG 198 −7.001 46.884−16.895 1.00 70.51 ATOM 1253 CZ ARG 198 −8.173 47.527 −16.895 1.00 71.39ATOM 1254 NH1 ARG 198 −9.309 46.851 −17.049 1.00 74.34 ATOM 1255 NH2 ARG198 −8.216 48.850 −16.745 1.00 73.50 ATOM 1256 N PRO 199 −6.712 40.685−13.949 1.00 60.31 ATOM 1257 CA PRO 199 −7.394 39.878 −12.926 1.00 59.80ATOM 1258 C PRO 199 −6.506 39.474 −11.725 1.00 59.02 ATOM 1259 O PRO 199−6.975 39.527 −10.582 1.00 58.60 ATOM 1260 CB PRO 199 −7.891 38.642−13.706 1.00 60.10 ATOM 1261 CG PRO 199 −7.149 38.640 −15.009 1.00 60.56ATOM 1262 CD PRO 199 −6.771 40.064 −15.291 1.00 60.60 ATOM 1263 N ASP200 −5.247 39.104 −11.978 1.00 58.37 ATOM 1264 CA ASP 200 −4.289 38.793−10.889 1.00 58.09 ATOM 1265 C ASP 200 −4.123 39.966 −9.932 1.00 57.97ATOM 1266 O ASP 200 −4.210 39.797 −8.707 1.00 58.11 ATOM 1267 CB ASP 200−2.916 38.406 −11.440 1.00 57.41 ATOM 1268 CG ASP 200 −2.987 37.271−12.416 1.00 56.87 ATOM 1269 OD1 ASP 200 −3.551 36.216 −12.044 1.0056.53 ATOM 1270 OD2 ASP 200 −2.471 37.434 −13.545 1.00 54.07 ATOM 1271 NGLU 201 −3.876 41.149 −10.498 1.00 57.96 ATOM 1272 CA GLU 201 −3.80142.384 −9.707 1.00 58.04 ATOM 1273 C GLU 201 −5.089 42.642 −8.868 1.0057.99 ATOM 1274 O GLU 201 −5.010 43.124 −7.717 1.00 57.08 ATOM 1275 CBGLU 201 −3.411 43.598 −10.577 1.00 58.12 ATOM 1276 CG GLU 201 −3.76244.941 −9.910 1.00 59.81 ATOM 1277 CD GLU 201 −2.850 46.081 −10.275 1.0059.25 ATOM 1278 OE1 GLU 201 −2.353 46.127 −11.424 1.00 61.24 ATOM 1279OE2 GLU 201 −2.653 46.948 −9.394 1.00 61.33 ATOM 1280 N LYS 202 −6.25842.314 −9.444 1.00 58.11 ATOM 1281 CA LYS 202 −7.538 42.418 −8.733 1.0058.01 ATOM 1282 C LYS 202 −7.538 41.480 −7.519 1.00 57.58 ATOM 1283 OLYS 202 −7.884 41.906 −6.416 1.00 57.11 ATOM 1284 CB LYS 202 −8.72942.138 −9.670 1.00 58.00 ATOM 1285 CG LYS 202 −10.094 42.131 −8.991 1.0058.29 ATOM 1286 CD LYS 202 −11.235 41.997 −10.025 1.00 58.66 ATOM 1287CE LYS 202 −12.517 41.344 −9.442 1.00 58.41 ATOM 1288 NZ LYS 202 −12.84641.660 −8.009 1.00 59.05 ATOM 1289 N TYR 203 −7.132 40.222 −7.752 1.0057.29 ATOM 1290 CA TYR 203 −7.027 39.165 −6.731 1.00 56.76 ATOM 1291 CTYR 203 −6.051 39.573 −5.622 1.00 55.73 ATOM 1292 O TYR 203 −6.36539.520 −4.439 1.00 55.19 ATOM 1293 CB TYR 203 −6.594 37.836 −7.391 1.0057.82 ATOM 1294 CG TYR 203 −6.403 36.661 −6.431 1.00 57.69 ATOM 1295 CD1TYR 203 −7.378 35.642 −6.304 1.00 59.41 ATOM 1296 CD2 TYR 203 −5.25736.582 −5.633 1.00 59.00 ATOM 1297 CE1 TYR 203 −7.192 34.563 −5.410 1.0059.51 ATOM 1298 CE2 TYR 203 −5.065 35.531 −4.745 1.00 60.75 ATOM 1299 CZTYR 203 −6.017 34.520 −4.636 1.00 58.13 ATOM 1300 OH TYR 203 −5.75433.498 −3.740 1.00 60.67 ATOM 1301 N VAL 204 −4.866 39.998 −6.026 1.0054.95 ATOM 1302 CA VAL 204 −3.835 40.403 −5.072 1.00 54.58 ATOM 1303 CVAL 204 −4.290 41.638 −4.213 1.00 53.79 ATOM 1304 O VAL 204 −4.09141.662 −2.986 1.00 52.60 ATOM 1305 CB VAL 204 −2.469 40.569 −5.822 1.0054.92 ATOM 1306 CG1 VAL 204 −1.523 41.522 −5.116 1.00 56.19 ATOM 1307CG2 VAL 204 −1.820 39.187 −6.087 1.00 53.61 ATOM 1308 N THR 205 −4.94942.619 −4.851 1.00 53.09 ATOM 1309 CA THR 205 −5.456 43.794 −4.132 1.0052.58 ATOM 1310 C THR 205 −6.437 43.402 −3.017 1.00 53.09 ATOM 1311 OTHR 205 −6.340 43.906 −1.878 1.00 52.50 ATOM 1312 CB THR 205 −6.10944.841 −5.091 1.00 52.24 ATOM 1313 OG1 THR 205 −5.109 45.371 −5.976 1.0050.47 ATOM 1314 CG2 THR 205 −6.716 46.000 −4.305 1.00 51.46 ATOM 1315 NGLU 206 −7.352 42.491 −3.365 1.00 53.01 ATOM 1316 CA GLU 206 −8.44442.065 −2.489 1.00 53.57 ATOM 1317 C GLU 206 −7.956 41.177 −1.363 1.0053.60 ATOM 1318 O GLU 206 −8.280 41.441 −0.203 1.00 53.68 ATOM 1319 CBGLU 206 −9.563 41.399 −3.295 1.00 53.31 ATOM 1320 CG GLU 206 −10.15042.359 −4.283 1.00 54.66 ATOM 1321 CD GLU 206 −11.279 41.793 −5.124 1.0055.83 ATOM 1322 OE1 GLU 206 −11.449 40.555 −5.199 1.00 58.27 ATOM 1323OE2 GLU 206 −11.993 42.618 −5.731 1.00 57.86 ATOM 1324 N LYS 207 −7.17140.150 −1.714 1.00 53.98 ATOM 1325 CA LYS 207 −6.504 39.245 −0.746 1.0054.40 ATOM 1326 C LYS 207 −5.834 40.060 0.379 1.00 54.04 ATOM 1327 O LYS207 −6.116 39.867 1.572 1.00 53.03 ATOM 1328 CB LYS 207 −5.463 38.376−1.481 1.00 54.50 ATOM 1329 CG LYS 207 −4.727 37.339 −0.646 1.00 56.04ATOM 1330 CD LYS 207 −3.784 36.509 −1.522 1.00 58.59 ATOM 1331 CE LYS207 −3.018 35.463 −0.713 1.00 59.46 ATOM 1332 NZ LYS 207 −2.119 34.690−1.635 1.00 58.18 ATOM 1333 N ALA 208 −4.973 40.991 −0.029 1.00 54.31ATOM 1334 CA ALA 208 −4.238 41.807 0.900 1.00 55.01 ATOM 1335 C ALA 208−5.226 42.582 1.799 1.00 55.58 ATOM 1336 O ALA 208 −5.072 42.586 3.0211.00 55.47 ATOM 1337 CB ALA 208 −3.292 42.757 0.130 1.00 55.20 ATOM 1338N TYR 209 −6.243 43.203 1.183 1.00 57.15 ATOM 1339 CA TYR 209 −7.31243.954 1.915 1.00 56.96 ATOM 1340 C TYR 209 −8.039 43.078 2.964 1.0056.61 ATOM 1341 O TYR 209 −8.230 43.504 4.130 1.00 56.39 ATOM 1342 CBTYR 209 −8.321 44.578 0.925 1.00 57.07 ATOM 1343 CG TYR 209 −9.26545.654 1.483 1.00 57.70 ATOM 1344 CD1 TYR 209 −8.809 46.966 1.731 1.0058.72 ATOM 1345 CD2 TYR 209 −10.631 45.372 1.719 1.00 58.01 ATOM 1346CE1 TYR 209 −9.689 47.962 2.216 1.00 59.35 ATOM 1347 CE2 TYR 209 −11.50646.352 2.208 1.00 57.42 ATOM 1348 CZ TYR 209 −11.026 47.643 2.451 1.0055.90 ATOM 1349 OH TYR 209 −11.881 48.614 2.917 1.00 58.74 ATOM 1350 NGLU 210 −8.389 41.850 2.558 1.00 56.26 ATOM 1351 CA GLU 210 −9.15540.915 3.411 1.00 56.42 ATOM 1352 C GLU 210 −8.343 40.311 4.566 1.0056.04 ATOM 1353 O GLU 210 −8.907 39.813 5.553 1.00 56.04 ATOM 1354 CBGLU 210 −9.743 39.778 2.566 1.00 56.91 ATOM 1355 CG GLU 210 −10.70140.245 1.446 1.00 58.24 ATOM 1356 CD GLU 210 −10.842 39.213 0.337 1.0061.03 ATOM 1357 OE1 GLU 210 −10.317 38.078 0.514 1.00 63.30 ATOM 1358OE2 GLU 210 −11.480 39.531 −0.700 1.00 60.60 ATOM 1359 N ASN 211 −7.02140.392 4.434 1.00 54.85 ATOM 1360 CA ASN 211 −6.079 39.673 5.277 1.0054.55 ATOM 1361 C ASN 211 −5.033 40.685 5.879 1.00 53.11 ATOM 1362 O ASN211 −3.831 40.440 5.806 1.00 52.60 ATOM 1363 CB ASN 211 −5.479 38.5264.393 1.00 55.22 ATOM 1364 CG ASN 211 −4.332 37.738 5.055 1.00 58.06ATOM 1365 OD1 ASN 211 −4.018 37.910 6.243 1.00 60.91 ATOM 1366 ND2 ASN211 −3.692 36.855 4.261 1.00 59.82 ATOM 1367 N PRO 212 −5.496 41.8236.491 1.00 51.64 ATOM 1368 CA PRO 212 −4.515 42.792 6.998 1.00 50.32ATOM 1369 C PRO 212 −3.784 42.189 8.212 1.00 49.35 ATOM 1370 O PRO 212−4.417 41.504 9.022 1.00 48.96 ATOM 1371 CB PRO 212 −5.386 43.965 7.4611.00 50.49 ATOM 1372 CG PRO 212 −6.674 43.322 7.891 1.00 51.04 ATOM 1373CD PRO 212 −6.876 42.240 6.826 1.00 51.68 ATOM 1374 N LYS 213 −2.47942.447 8.318 1.00 47.51 ATOM 1375 CA LYS 213 −1.648 41.922 9.375 1.0046.52 ATOM 1376 C LYS 213 −0.638 42.975 9.769 1.00 46.02 ATOM 1377 O LYS213 0.019 43.569 8.906 1.00 46.15 ATOM 1378 CB LYS 213 −0.893 40.6838.909 1.00 46.06 ATOM 1379 CG LYS 213 −1.769 39.444 8.686 1.00 45.94ATOM 1380 CD LYS 213 −1.021 38.131 9.006 1.00 42.30 ATOM 1381 CE LYS 213−1.946 36.939 8.706 1.00 42.12 ATOM 1382 NZ LYS 213 −1.223 35.624 8.7551.00 41.19 ATOM 1383 N PHE 214 −0.534 43.219 11.073 1.00 45.52 ATOM 1384CA PHE 214 0.540 44.036 11.634 1.00 45.58 ATOM 1385 C PHE 214 1.87543.286 11.471 1.00 43.76 ATOM 1386 O PHE 214 1.897 42.056 11.285 1.0043.89 ATOM 1387 CB PHE 214 0.299 44.270 13.141 1.00 46.89 ATOM 1388 CGPHE 214 −0.840 45.208 13.471 1.00 48.64 ATOM 1389 CD1 PHE 214 −0.83046.539 13.033 1.00 51.01 ATOM 1390 CD2 PHE 214 −1.890 44.774 14.309 1.0050.55 ATOM 1391 CE1 PHE 214 −1.876 47.429 13.378 1.00 52.20 ATOM 1392CE2 PHE 214 −2.938 45.632 14.672 1.00 50.78 ATOM 1393 CZ PHE 214 −2.93846.969 14.199 1.00 51.48 ATOM 1394 N VAL 215 2.986 44.012 11.572 1.0041.22 ATOM 1395 CA VAL 215 4.268 43.360 11.753 1.00 39.38 ATOM 1396 CVAL 215 4.255 42.345 12.936 1.00 38.44 ATOM 1397 O VAL 215 4.831 41.25312.830 1.00 37.18 ATOM 1398 CB VAL 215 5.451 44.375 11.859 1.00 39.18ATOM 1399 CG1 VAL 215 5.390 45.238 13.135 1.00 37.11 ATOM 1400 CG2 VAL215 6.681 43.638 11.833 1.00 39.54 ATOM 1401 N GLU 216 3.578 42.70814.035 1.00 37.54 ATOM 1402 CA GLU 216 3.430 41.817 15.200 1.00 36.83ATOM 1403 C GLU 216 2.775 40.467 14.819 1.00 36.37 ATOM 1404 O GLU 2163.271 39.407 15.164 1.00 35.59 ATOM 1405 CB GLU 216 2.592 42.489 16.2871.00 36.59 ATOM 1406 CG GLU 216 3.269 43.670 17.002 1.00 36.95 ATOM 1407CD GLU 216 2.843 45.025 16.448 1.00 36.23 ATOM 1408 OE1 GLU 216 2.42445.033 15.285 1.00 35.17 ATOM 1409 OE2 GLU 216 2.953 46.079 17.152 1.0036.48 ATOM 1410 N ASP 217 1.666 40.541 14.096 1.00 37.46 ATOM 1411 CAASP 217 0.924 39.365 13.575 1.00 37.41 ATOM 1412 C ASP 217 1.763 38.50312.679 1.00 36.40 ATOM 1413 O ASP 217 1.733 37.268 12.781 1.00 35.80ATOM 1414 CB ASP 217 −0.305 39.833 12.782 1.00 39.17 ATOM 1415 CG ASP217 −1.379 40.441 13.689 1.00 42.59 ATOM 1416 OD1 ASP 217 −1.611 39.87914.803 1.00 44.14 ATOM 1417 OD2 ASP 217 −1.972 41.474 13.294 1.00 45.24ATOM 1418 N MET 218 2.523 39.141 11.793 1.00 36.11 ATOM 1419 CA MET 2183.384 38.395 10.895 1.00 35.43 ATOM 1420 C MET 218 4.516 37.691 11.6241.00 33.47 ATOM 1421 O MET 218 4.761 36.528 11.387 1.00 32.57 ATOM 1422CB MET 218 3.919 39.291 9.744 1.00 36.86 ATOM 1423 CG MET 218 4.83538.557 8.686 1.00 39.05 ATOM 1424 SD MET 218 4.098 37.370 7.489 1.0048.15 ATOM 1425 CE MET 218 2.385 37.538 7.908 1.00 47.14 ATOM 1426 N VAL219 5.233 38.362 12.507 1.00 32.53 ATOM 1427 CA VAL 219 6.310 37.60413.169 1.00 32.64 ATOM 1428 C VAL 219 5.758 36.404 13.970 1.00 32.02ATOM 1429 O VAL 219 6.383 35.315 13.996 1.00 30.73 ATOM 1430 CB VAL 2197.290 38.469 14.026 1.00 32.81 ATOM 1431 CG1 VAL 219 8.108 39.389 13.1241.00 33.18 ATOM 1432 CG2 VAL 219 6.570 39.256 15.095 1.00 33.07 ATOM1433 N ARG 220 4.613 36.621 14.631 1.00 32.42 ATOM 1434 CA ARG 220 3.94035.569 15.425 1.00 32.49 ATOM 1435 C ARG 220 3.445 34.351 14.650 1.0033.39 ATOM 1436 O ARG 220 3.745 33.199 15.037 1.00 34.66 ATOM 1437 CBARG 220 2.814 36.156 16.220 1.00 32.42 ATOM 1438 CG ARG 220 3.309 36.92417.434 1.00 31.64 ATOM 1439 CD ARG 220 2.123 37.638 18.065 1.00 32.29ATOM 1440 NE ARG 220 2.428 37.976 19.436 1.00 34.95 ATOM 1441 CZ ARG 2201.932 39.029 20.059 1.00 35.09 ATOM 1442 NH1 ARG 220 1.120 39.873 19.4171.00 33.56 ATOM 1443 NH2 ARG 220 2.268 39.240 21.319 1.00 36.65 ATOM1444 N ASP 221 2.717 34.590 13.566 1.00 34.07 ATOM 1445 CA ASP 221 2.29033.526 12.636 1.00 33.76 ATOM 1446 C ASP 221 3.446 32.709 12.069 1.0033.51 ATOM 1447 O ASP 221 3.342 31.489 11.968 1.00 33.79 ATOM 1448 CBASP 221 1.453 34.155 11.505 1.00 34.70 ATOM 1449 CG ASP 221 0.124 34.70512.009 1.00 36.94 ATOM 1450 OD1 ASP 221 −0.162 34.438 13.197 1.00 40.28ATOM 1451 OD2 ASP 221 −0.626 35.386 11.263 1.00 36.36 ATOM 1452 N VAL222 4.559 33.362 11.697 1.00 32.83 ATOM 1453 CA VAL 222 5.737 32.62311.232 1.00 31.91 ATOM 1454 C VAL 222 6.418 31.859 12.389 1.00 32.92ATOM 1455 O VAL 222 6.823 30.689 12.243 1.00 32.48 ATOM 1456 CB VAL 2226.756 33.545 10.431 1.00 31.86 ATOM 1457 CG1 VAL 222 8.053 32.832 10.1181.00 29.78 ATOM 1458 CG2 VAL 222 6.119 34.107 9.133 1.00 28.77 ATOM 1459N ALA 223 6.553 32.497 13.549 1.00 32.41 ATOM 1460 CA ALA 223 7.21831.798 14.660 1.00 32.79 ATOM 1461 C ALA 223 6.469 30.499 15.061 1.0032.87 ATOM 1462 O ALA 223 7.092 29.449 15.365 1.00 32.40 ATOM 1463 CBALA 223 7.311 32.706 15.851 1.00 33.64 ATOM 1464 N THR 224 5.138 30.58215.076 1.00 33.30 ATOM 1465 CA THR 224 4.311 29.381 15.348 1.00 34.28ATOM 1466 C THR 224 4.709 28.229 14.426 1.00 33.80 ATOM 1467 O THR 2244.883 27.108 14.896 1.00 32.18 ATOM 1468 CB THR 224 2.834 29.667 15.2501.00 34.79 ATOM 1469 OG1 THR 224 2.527 30.763 16.107 1.00 34.54 ATOM1470 CG2 THR 224 2.009 28.439 15.738 1.00 38.37 ATOM 1471 N SER 2254.876 28.494 13.115 1.00 34.23 ATOM 1472 CA SER 225 5.217 27.412 12.1941.00 34.27 ATOM 1473 C SER 225 6.582 26.873 12.546 1.00 34.88 ATOM 1474O SER 225 6.833 25.632 12.517 1.00 34.49 ATOM 1475 CB SER 225 5.20827.868 10.736 1.00 34.83 ATOM 1476 OG SER 225 3.879 28.131 10.317 1.0036.16 ATOM 1477 N LEU 226 7.499 27.782 12.887 1.00 34.32 ATOM 1478 CALEU 226 8.863 27.327 13.123 1.00 34.58 ATOM 1479 C LEU 226 9.034 26.60214.480 1.00 35.09 ATOM 1480 O LEU 226 9.871 25.702 14.624 1.00 35.39ATOM 1481 CB LEU 226 9.867 28.500 12.956 1.00 34.96 ATOM 1482 CG LEU 2269.770 29.394 11.699 1.00 33.32 ATOM 1483 CD1 LEU 226 10.737 30.58011.796 1.00 29.72 ATOM 1484 CD2 LEU 226 10.017 28.570 10.444 1.00 31.90ATOM 1485 N ILE 227 8.285 27.010 15.499 1.00 35.24 ATOM 1486 CA ILE 2278.359 26.286 16.791 1.00 34.80 ATOM 1487 C ILE 227 7.912 24.810 16.6201.00 35.08 ATOM 1488 O ILE 227 8.456 23.872 17.253 1.00 34.52 ATOM 1489CB ILE 227 7.486 26.982 17.862 1.00 35.35 ATOM 1490 CG1 ILE 227 8.22828.232 18.401 1.00 35.35 ATOM 1491 CG2 ILE 227 7.131 26.002 18.992 1.0035.51 ATOM 1492 CD1 ILE 227 7.329 29.271 19.011 1.00 35.08 ATOM 1493 NALA 228 6.950 24.628 15.727 1.00 35.42 ATOM 1494 CA ALA 228 6.324 23.34715.459 1.00 36.53 ATOM 1495 C ALA 228 7.183 22.383 14.640 1.00 36.58ATOM 1496 O ALA 228 7.024 21.150 14.741 1.00 37.14 ATOM 1497 CB ALA 2284.984 23.585 14.774 1.00 36.82 ATOM 1498 N ASP 229 8.109 22.915 13.8501.00 36.37 ATOM 1499 CA ASP 229 8.973 22.068 13.018 1.00 36.10 ATOM 1500C ASP 229 10.034 21.426 13.915 1.00 37.32 ATOM 1501 O ASP 229 10.79222.141 14.572 1.00 37.73 ATOM 1502 CB ASP 229 9.585 22.921 11.897 1.0035.82 ATOM 1503 CG ASP 229 10.310 22.096 10.861 1.00 35.00 ATOM 1504 OD1ASP 229 11.209 21.314 11.240 1.00 32.09 ATOM 1505 OD2 ASP 229 9.96622.218 9.653 1.00 34.51 ATOM 1506 N ASN 241 8.407 46.451 7.910 1.0038.75 ATOM 1507 CA ASN 241 7.350 46.945 7.062 1.00 40.86 ATOM 1508 C ASN241 7.685 48.355 6.625 1.00 41.84 ATOM 1509 O ASN 241 7.708 49.260 7.4591.00 41.53 ATOM 1510 CB ASN 241 6.035 47.019 7.831 1.00 41.45 ATOM 1511CG ASN 241 5.404 45.673 8.066 1.00 45.01 ATOM 1512 OD1 ASN 241 4.42645.578 8.807 1.00 50.80 ATOM 1513 ND2 ASN 241 5.938 44.623 7.443 1.0047.80 ATOM 1514 N PHE 242 7.931 48.549 5.327 1.00 42.06 ATOM 1515 CA PHE242 8.328 49.882 4.849 1.00 43.01 ATOM 1516 C PHE 242 7.099 50.800 4.7611.00 43.06 ATOM 1517 O PHE 242 6.628 51.115 3.649 1.00 41.83 ATOM 1518CB PHE 242 9.160 49.775 3.539 1.00 42.80 ATOM 1519 CG PHE 242 10.47049.042 3.748 1.00 43.34 ATOM 1520 CD1 PHE 242 11.578 49.719 4.232 1.0043.78 ATOM 1521 CD2 PHE 242 10.565 47.650 3.542 1.00 43.59 ATOM 1522 CE1PHE 242 12.781 49.044 4.457 1.00 45.11 ATOM 1523 CE2 PHE 242 11.76746.969 3.755 1.00 42.03 ATOM 1524 CZ PHE 242 12.872 47.668 4.214 1.0043.33 ATOM 1525 N GLU 243 6.591 51.185 5.947 1.00 42.20 ATOM 1526 CA GLU243 5.313 51.890 6.091 1.00 43.24 ATOM 1527 C GLU 243 5.193 52.917 4.9751.00 42.95 ATOM 1528 O GLU 243 6.100 53.756 4.795 1.00 41.58 ATOM 1529CB GLU 243 5.176 52.603 7.456 1.00 43.53 ATOM 1530 CG GLU 243 5.16651.691 8.686 1.00 47.74 ATOM 1531 CD GLU 243 4.045 50.630 8.672 1.0053.02 ATOM 1532 OE1 GLU 243 2.909 50.935 9.111 1.00 56.85 ATOM 1533 OE2GLU 243 4.313 49.470 8.262 1.00 54.32 ATOM 1534 N SER 244 4.109 52.7994.205 1.00 42.95 ATOM 1535 CA SER 244 3.917 53.634 3.017 1.00 43.67 ATOM1536 C SER 244 3.492 55.057 3.422 1.00 44.11 ATOM 1537 O SER 244 3.43055.917 2.559 1.00 43.54 ATOM 1538 CB SER 244 2.872 53.035 2.062 1.0043.70 ATOM 1539 OG SER 244 1.608 52.882 2.714 1.00 43.76 ATOM 1540 N ILE245 3.247 55.269 4.732 1.00 44.53 ATOM 1541 CA ILE 245 2.762 56.5425.305 1.00 44.90 ATOM 1542 C ILE 245 3.796 57.370 6.114 1.00 44.98 ATOM1543 O ILE 245 3.579 58.562 6.399 1.00 45.25 ATOM 1544 CB ILE 245 1.44656.328 6.131 1.00 45.08 ATOM 1545 CG1 ILE 245 1.678 55.420 7.340 1.0045.82 ATOM 1546 CG2 ILE 245 0.327 55.744 5.234 1.00 45.11 ATOM 1547 CD1ILE 245 0.563 55.480 8.372 1.00 45.19 ATOM 1548 N HIS 246 4.912 56.7296.467 1.00 44.82 ATOM 1549 CA HIS 246 6.046 57.364 7.170 1.00 44.40 ATOM1550 C HIS 246 7.299 57.172 6.337 1.00 43.85 ATOM 1551 O HIS 246 7.27456.491 5.290 1.00 43.92 ATOM 1552 CB HIS 246 6.306 56.687 8.529 1.0045.24 ATOM 1553 CG HIS 246 5.125 56.674 9.448 1.00 45.19 ATOM 1554 ND1HIS 246 4.574 55.504 9.935 1.00 47.43 ATOM 1555 CD2 HIS 246 4.390 57.6859.968 1.00 44.55 ATOM 1556 CE1 HIS 246 3.557 55.804 10.729 1.00 47.01ATOM 1557 NE2 HIS 246 3.423 57.121 10.761 1.00 45.51 ATOM 1558 N ASN 2478.409 57.740 6.798 1.00 42.26 ATOM 1559 CA ASN 247 9.689 57.458 6.1511.00 40.75 ATOM 1560 C ASN 247 10.617 56.602 7.022 1.00 39.27 ATOM 1561O ASN 247 11.858 56.641 6.871 1.00 39.39 ATOM 1562 CB ASN 247 10.38858.753 5.655 1.00 41.37 ATOM 1563 CG ASN 247 11.418 58.491 4.526 1.0041.38 ATOM 1564 OD1 ASN 247 11.262 57.564 3.727 1.00 42.55 ATOM 1565 ND2ASN 247 12.482 59.322 4.475 1.00 40.83 ATOM 1566 N TYR 251 8.983 47.50312.864 1.00 31.14 ATOM 1567 CA TYR 251 9.911 46.418 12.972 1.00 31.17ATOM 1568 C TYR 251 9.549 45.501 14.174 1.00 31.66 ATOM 1569 O TYR 2519.072 45.965 15.166 1.00 31.06 ATOM 1570 CB TYR 251 11.325 46.995 13.1061.00 30.79 ATOM 1571 CG TYR 251 12.393 45.981 13.307 1.00 30.68 ATOM1572 CD1 TYR 251 12.814 45.139 12.251 1.00 29.05 ATOM 1573 CD2 TYR 25112.998 45.830 14.566 1.00 30.94 ATOM 1574 CE1 TYR 251 13.793 44.18212.450 1.00 30.88 ATOM 1575 CE2 TYR 251 13.994 44.862 14.766 1.00 33.74ATOM 1576 CZ TYR 251 14.389 44.058 13.702 1.00 31.97 ATOM 1577 OH TYR251 15.362 43.101 13.900 1.00 35.58 TER ATOM 1578 MN MN2 C 258 −0.98751.767 9.777 1.00 49.60 TER ATOM 1579 N ASN 15 −0.055 31.945 21.743 1.0057.77 ATOM 1580 CA ASN 15 0.077 33.433 21.573 1.00 57.60 ATOM 1581 C ASN15 1.474 33.904 21.106 1.00 56.17 ATOM 1582 O ASN 15 1.638 34.372 19.9441.00 57.59 ATOM 1583 CB ASN 15 −0.349 34.162 22.857 1.00 58.61 ATOM 1584CG ASN 15 −1.826 34.577 22.840 1.00 61.05 ATOM 1585 OD1 ASN 15 −2.43934.707 21.763 1.00 62.70 ATOM 1586 ND2 ASN 15 −2.407 34.794 24.045 1.0062.68 ATOM 1587 N LEU 16 2.466 33.763 21.989 1.00 53.16 ATOM 1588 CA LEU16 3.873 34.147 21.715 1.00 49.45 ATOM 1589 C LEU 16 4.265 35.599 22.0491.00 46.26 ATOM 1590 O LEU 16 3.774 36.563 21.428 1.00 45.34 ATOM 1591CB LEU 16 4.286 33.777 20.281 1.00 50.00 ATOM 1592 CG LEU 16 5.10632.522 20.015 1.00 50.00 ATOM 1593 CD1 LEU 16 4.760 31.319 20.907 1.0049.39 ATOM 1594 CD2 LEU 16 5.019 32.185 18.515 1.00 49.75 ATOM 1595 NPRO 17 5.144 35.758 23.051 1.00 43.37 ATOM 1596 CA PRO 17 5.673 37.10223.272 1.00 42.01 ATOM 1597 C PRO 17 6.630 37.522 22.123 1.00 39.49 ATOM1598 O PRO 17 7.206 36.658 21.457 1.00 38.46 ATOM 1599 CB PRO 17 6.38737.010 24.638 1.00 41.94 ATOM 1600 CG PRO 17 6.625 35.499 24.889 1.0042.78 ATOM 1601 CD PRO 17 5.660 34.747 24.004 1.00 43.71 ATOM 1602 N ILE18 6.757 38.833 21.888 1.00 37.20 ATOM 1603 CA ILE 18 7.707 39.36020.889 1.00 34.81 ATOM 1604 C ILE 18 8.860 40.054 21.617 1.00 34.48 ATOM1605 O ILE 18 8.658 41.020 22.359 1.00 33.94 ATOM 1606 CB ILE 18 7.00740.305 19.844 1.00 35.33 ATOM 1607 CG1 ILE 18 5.742 39.641 19.284 1.0034.34 ATOM 1608 CG2 ILE 18 7.994 40.729 18.733 1.00 34.30 ATOM 1609 CD1ILE 18 4.965 40.363 18.195 1.00 33.50 ATOM 1610 N ASN 19 10.077 39.55421.388 1.00 34.14 ATOM 1611 CA ASN 19 11.282 40.096 22.001 1.00 33.65ATOM 1612 C ASN 19 11.389 41.597 21.857 1.00 33.26 ATOM 1613 O ASN 1911.644 42.306 22.834 1.00 32.04 ATOM 1614 CB ASN 19 12.539 39.407 21.4431.00 34.52 ATOM 1615 CG ASN 19 12.552 37.950 21.744 1.00 36.27 ATOM 1616OD1 ASN 19 13.318 37.480 22.582 1.00 42.25 ATOM 1617 ND2 ASN 19 11.67837.229 21.114 1.00 35.29 ATOM 1618 N GLY 22 8.798 47.783 17.427 1.0030.37 ATOM 1619 CA GLY 22 8.928 49.238 17.433 1.00 29.76 ATOM 1620 C GLY22 9.283 49.783 16.066 1.00 30.75 ATOM 1621 O GLY 22 8.767 49.302 15.0541.00 31.28 ATOM 1622 N VAL 49 10.256 47.847 22.103 1.00 29.99 ATOM 1623CA VAL 49 9.882 47.350 23.439 1.00 30.64 ATOM 1624 C VAL 49 9.500 45.86223.366 1.00 31.81 ATOM 1625 O VAL 49 9.173 45.339 22.282 1.00 31.69 ATOM1626 CB VAL 49 8.711 48.165 24.139 1.00 30.27 ATOM 1627 CG1 VAL 49 9.06649.625 24.338 1.00 27.05 ATOM 1628 CG2 VAL 49 7.386 48.097 23.369 1.0028.65 ATOM 1629 N TYR 50 9.592 45.187 24.510 1.00 32.49 ATOM 1630 CA TYR50 9.011 43.848 24.698 1.00 33.92 ATOM 1631 C TYR 50 7.472 43.861 24.5081.00 34.74 ATOM 1632 O TYR 50 6.795 44.800 24.894 1.00 34.44 ATOM 1633CB TYR 50 9.391 43.337 26.100 1.00 34.27 ATOM 1634 CG TYR 50 8.73242.066 26.497 1.00 34.16 ATOM 1635 CD1 TYR 50 9.239 40.847 26.086 1.0034.55 ATOM 1636 CD2 TYR 50 7.621 42.076 27.334 1.00 34.69 ATOM 1637 CE1TYR 50 8.612 39.644 26.451 1.00 34.91 ATOM 1638 CE2 TYR 50 7.008 40.90727.724 1.00 34.31 ATOM 1639 CZ TYR 50 7.497 39.703 27.280 1.00 34.93ATOM 1640 OH TYR 50 6.858 38.537 27.670 1.00 37.56 ATOM 1641 N LEU 516.920 42.846 23.856 1.00 36.01 ATOM 1642 CA LEU 51 5.459 42.792 23.7431.00 38.06 ATOM 1643 C LEU 51 4.970 41.474 24.359 1.00 38.71 ATOM 1644 OLEU 51 5.357 40.387 23.891 1.00 38.72 ATOM 1645 CB LEU 51 4.966 42.91222.293 1.00 38.26 ATOM 1646 CG LEU 51 3.483 43.291 22.071 1.00 39.97ATOM 1647 CD1 LEU 51 3.196 44.698 22.569 1.00 41.59 ATOM 1648 CD2 LEU 513.106 43.214 20.601 1.00 39.18 ATOM 1649 N PRO 52 4.132 41.569 25.4101.00 39.27 ATOM 1650 CA PRO 52 3.607 40.371 26.084 1.00 40.56 ATOM 1651C PRO 52 2.762 39.489 25.170 1.00 40.53 ATOM 1652 O PRO 52 2.094 39.99224.289 1.00 39.33 ATOM 1653 CB PRO 52 2.720 40.950 27.209 1.00 40.48ATOM 1654 CG PRO 52 3.168 42.385 27.390 1.00 40.75 ATOM 1655 CD PRO 523.626 42.820 26.013 1.00 39.83 ATOM 1656 N ALA 53 2.808 38.180 25.4201.00 42.43 ATOM 1657 CA ALA 53 2.081 37.157 24.663 1.00 44.05 ATOM 1658C ALA 53 0.632 37.483 24.238 1.00 46.03 ATOM 1659 O ALA 53 0.269 37.30623.079 1.00 45.37 ATOM 1660 CB ALA 53 2.158 35.809 25.400 1.00 44.31ATOM 1661 N GLU 54 −0.201 37.988 25.147 1.00 48.17 ATOM 1662 CA GLU 54−1.588 38.264 24.742 1.00 50.27 ATOM 1663 C GLU 54 −1.866 39.724 24.2981.00 50.27 ATOM 1664 O GLU 54 −3.005 40.046 23.975 1.00 50.60 ATOM 1665CB GLU 54 −2.627 37.724 25.771 1.00 50.47 ATOM 1666 CG GLU 54 −2.72638.522 27.079 1.00 52.14 ATOM 1667 CD GLU 54 −3.853 38.039 28.041 1.0052.30 ATOM 1668 OE1 GLU 54 −3.510 37.353 29.047 1.00 53.98 ATOM 1669 OE2GLU 54 −5.059 38.346 27.795 1.00 52.76 ATOM 1670 N GLN 55 −0.842 40.58724.264 1.00 49.80 ATOM 1671 CA GLN 55 −1.008 41.957 23.723 1.00 49.67ATOM 1672 C GLN 55 −0.821 41.999 22.204 1.00 49.52 ATOM 1673 O GLN 550.162 41.460 21.673 1.00 48.68 ATOM 1674 CB GLN 55 −0.060 42.944 24.4151.00 49.73 ATOM 1675 CG GLN 55 −0.274 44.423 24.053 1.00 49.02 ATOM 1676CD GLN 55 0.539 45.355 24.963 1.00 50.64 ATOM 1677 OE1 GLN 55 0.79845.018 26.127 1.00 50.76 ATOM 1678 NE2 GLN 55 0.928 46.548 24.442 1.0050.99 ATOM 1679 N LYS 56 −1.761 42.648 21.514 1.00 49.80 ATOM 1680 CALYS 56 −1.878 42.501 20.046 1.00 50.35 ATOM 1681 C LYS 56 −0.832 43.29519.269 1.00 48.93 ATOM 1682 O LYS 56 −0.302 42.810 18.259 1.00 48.73ATOM 1683 CB LYS 56 −3.292 42.848 19.523 1.00 50.57 ATOM 1684 CG LYS 56−3.464 42.585 18.019 1.00 51.80 ATOM 1685 CD LYS 56 −4.918 42.505 17.5781.00 53.30 ATOM 1686 CE LYS 56 −5.380 43.822 16.954 1.00 55.68 ATOM 1687NZ LYS 56 −6.597 44.405 17.633 1.00 59.22 ATOM 1688 N GLY 57 −0.58544.517 19.747 1.00 47.49 ATOM 1689 CA GLY 57 0.319 45.462 19.131 1.0045.82 ATOM 1690 C GLY 57 0.834 46.492 20.127 1.00 45.53 ATOM 1691 O GLY57 0.337 46.616 21.261 1.00 44.75 ATOM 1692 N THR 58 1.867 47.218 19.7151.00 44.32 ATOM 1693 CA THR 58 2.451 48.232 20.551 1.00 43.57 ATOM 1694C THR 58 1.880 49.539 20.016 1.00 44.18 ATOM 1695 O THR 58 0.915 49.51419.236 1.00 43.92 ATOM 1696 CB THR 58 4.020 48.180 20.514 1.00 43.34ATOM 1697 OG1 THR 58 4.567 49.161 21.411 1.00 42.06 ATOM 1698 CG2 THR 584.552 48.425 19.087 1.00 41.24 ATOM 1699 N HIS 59 2.484 50.661 20.4161.00 44.36 ATOM 1700 CA HIS 59 1.990 51.988 20.089 1.00 44.59 ATOM 1701C HIS 59 3.042 52.738 19.315 1.00 43.83 ATOM 1702 O HIS 59 3.780 53.53519.885 1.00 42.81 ATOM 1703 CB HIS 59 1.636 52.721 21.380 1.00 45.60ATOM 1704 CG HIS 59 0.703 51.938 22.252 1.00 48.60 ATOM 1705 ND1 HIS 591.144 51.135 23.288 1.00 51.29 ATOM 1706 CD2 HIS 59 −0.637 51.759 22.1801.00 50.27 ATOM 1707 CE1 HIS 59 0.109 50.533 23.847 1.00 51.31 ATOM 1708NE2 HIS 59 −0.984 50.899 23.198 1.00 52.01 ATOM 1709 N MET 60 3.06052.498 18.003 1.00 43.45 ATOM 1710 CA MET 60 4.118 52.968 17.111 1.0043.58 ATOM 1711 C MET 60 4.408 54.470 17.126 1.00 42.81 ATOM 1712 O MET60 5.568 54.862 17.000 1.00 43.78 ATOM 1713 CB MET 60 3.826 52.51715.662 1.00 44.75 ATOM 1714 CG MET 60 3.874 50.996 15.481 1.00 45.80ATOM 1715 SD MET 60 5.554 50.390 15.559 1.00 47.38 ATOM 1716 CE MET 605.341 48.695 15.015 1.00 46.89 ATOM 1717 N SER 61 3.378 55.316 17.2401.00 41.77 ATOM 1718 CA SER 61 3.580 56.774 17.190 1.00 40.55 ATOM 1719C SER 61 4.316 57.325 18.401 1.00 40.20 ATOM 1720 O SER 61 4.872 58.44018.354 1.00 39.73 ATOM 1721 CB SER 61 2.253 57.505 17.058 1.00 40.87ATOM 1722 OG SER 61 1.535 57.469 18.286 1.00 42.74 ATOM 1723 N ARG 624.306 56.572 19.502 1.00 38.76 ATOM 1724 CA ARG 62 4.907 57.064 20.7601.00 37.81 ATOM 1725 C ARG 62 6.430 57.086 20.708 1.00 36.60 ATOM 1726 OARG 62 7.053 57.867 21.407 1.00 35.27 ATOM 1727 CB ARG 62 4.471 56.19721.946 1.00 38.07 ATOM 1728 CG ARG 62 2.986 56.087 22.103 1.00 37.78ATOM 1729 CD ARG 62 2.650 55.479 23.453 1.00 37.88 ATOM 1730 NE ARG 621.202 55.356 23.598 1.00 37.07 ATOM 1731 CZ ARG 62 0.569 54.705 24.5791.00 37.18 ATOM 1732 NH1 ARG 62 1.229 54.097 25.571 1.00 37.21 ATOM 1733NH2 ARG 62 −0.745 54.685 24.564 1.00 35.43 ATOM 1734 N PHE 63 7.02956.198 19.900 1.00 36.09 ATOM 1735 CA PHE 63 8.464 56.204 19.720 1.0035.73 ATOM 1736 C PHE 63 8.893 57.549 19.109 1.00 36.45 ATOM 1737 O PHE63 9.793 58.207 19.617 1.00 36.12 ATOM 1738 CB PHE 63 8.934 55.03818.850 1.00 35.41 ATOM 1739 CG PHE 63 8.621 53.693 19.413 1.00 34.78ATOM 1740 CD1 PHE 63 9.340 53.203 20.503 1.00 32.25 ATOM 1741 CD2 PHE 637.598 52.921 18.852 1.00 33.93 ATOM 1742 CE1 PHE 63 9.074 51.933 21.0311.00 32.28 ATOM 1743 CE2 PHE 63 7.303 51.643 19.376 1.00 34.29 ATOM 1744CZ PHE 63 8.050 51.146 20.464 1.00 33.57 ATOM 1745 N VAL 64 8.236 57.94818.020 1.00 37.27 ATOM 1746 CA VAL 64 8.517 59.230 17.375 1.00 37.13ATOM 1747 C VAL 64 8.161 60.414 18.267 1.00 38.00 ATOM 1748 O VAL 648.928 61.374 18.346 1.00 38.05 ATOM 1749 CB VAL 64 7.771 59.348 15.9951.00 37.68 ATOM 1750 CG1 VAL 64 7.969 60.740 15.348 1.00 35.90 ATOM 1751CG2 VAL 64 8.246 58.302 15.051 1.00 35.99 ATOM 1752 N ALA 65 6.99560.356 18.920 1.00 39.07 ATOM 1753 CA ALA 65 6.604 61.336 19.959 1.0039.65 ATOM 1754 C ALA 65 7.709 61.560 20.985 1.00 39.89 ATOM 1755 O ALA65 8.040 62.706 21.288 1.00 40.81 ATOM 1756 CB ALA 65 5.314 60.89320.661 1.00 39.83 ATOM 1757 N LEU 66 8.289 60.476 21.511 1.00 39.65 ATOM1758 CA LEU 66 9.366 60.572 22.481 1.00 39.87 ATOM 1759 C LEU 66 10.57461.353 21.914 1.00 41.30 ATOM 1760 O LEU 66 11.115 62.244 22.594 1.0040.47 ATOM 1761 CB LEU 66 9.791 59.179 22.920 1.00 40.26 ATOM 1762 CGLEU 66 10.824 59.054 24.047 1.00 40.85 ATOM 1763 CD1 LEU 66 10.17759.321 25.386 1.00 40.55 ATOM 1764 CD2 LEU 66 11.503 57.695 24.065 1.0039.84 ATOM 1765 N GLU 68 10.766 63.558 19.363 1.00 46.22 ATOM 1766 CAGLU 68 10.381 64.976 19.114 1.00 48.69 ATOM 1767 C GLU 68 10.315 65.84120.391 1.00 50.90 ATOM 1768 O GLU 68 10.662 67.033 20.349 1.00 51.17ATOM 1769 CB GLU 68 9.037 65.069 18.353 1.00 48.22 ATOM 1770 CG GLU 688.992 64.362 16.978 1.00 46.41 ATOM 1771 CD GLU 68 9.820 65.064 15.8861.00 47.69 ATOM 1772 OE1 GLU 68 10.263 66.237 16.080 1.00 45.80 ATOM1773 OE2 GLU 68 10.032 64.419 14.824 1.00 47.66 ATOM 1774 N GLN 69 9.87865.225 21.502 1.00 53.44 ATOM 1775 CA GLN 69 9.737 65.894 22.821 1.0055.64 ATOM 1776 C GLN 69 11.066 66.234 23.455 1.00 56.51 ATOM 1777 O GLN69 11.205 67.300 24.052 1.00 56.81 ATOM 1778 CB GLN 69 8.960 65.03323.819 1.00 56.03 ATOM 1779 CG GLN 69 7.481 65.390 23.982 1.00 59.13ATOM 1780 CD GLN 69 6.553 64.171 23.830 1.00 61.60 ATOM 1781 OE1 GLN 696.731 63.130 24.489 1.00 63.56 ATOM 1782 NE2 GLN 69 5.565 64.296 22.9411.00 62.80 ATOM 1783 N GLU 85 12.285 56.401 29.960 1.00 35.51 ATOM 1784CA GLU 85 11.043 57.106 29.645 1.00 36.75 ATOM 1785 C GLU 85 10.28656.367 28.558 1.00 36.10 ATOM 1786 O GLU 85 9.063 56.381 28.509 1.0035.56 ATOM 1787 CB GLU 85 11.345 58.521 29.186 1.00 37.91 ATOM 1788 CGGLU 85 10.511 59.561 29.872 1.00 45.60 ATOM 1789 CD GLU 85 10.938 60.97129.494 1.00 51.33 ATOM 1790 OE1 GLU 85 11.946 61.450 30.082 1.00 56.31ATOM 1791 OE2 GLU 85 10.262 61.599 28.612 1.00 57.98 ATOM 1792 N MET 8611.027 55.701 27.682 1.00 34.68 ATOM 1793 CA MET 86 10.396 54.953 26.6101.00 33.27 ATOM 1794 C MET 86 9.602 53.755 27.109 1.00 32.94 ATOM 1795 OMET 86 8.444 53.580 26.743 1.00 31.87 ATOM 1796 CB MET 86 11.438 54.43725.623 1.00 31.72 ATOM 1797 CG MET 86 10.773 53.653 24.513 1.00 29.97ATOM 1798 SD MET 86 11.938 52.947 23.321 1.00 32.42 ATOM 1799 CE MET 8612.806 51.729 24.284 1.00 23.54 ATOM 1800 N VAL 87 10.244 52.890 27.8881.00 34.25 ATOM 1801 CA VAL 87 9.560 51.671 28.364 1.00 35.93 ATOM 1802C VAL 87 8.348 52.052 29.271 1.00 36.89 ATOM 1803 O VAL 87 7.303 51.36929.273 1.00 36.38 ATOM 1804 CB VAL 87 10.512 50.648 29.024 1.00 36.17ATOM 1805 CG1 VAL 87 11.577 50.146 28.033 1.00 36.15 ATOM 1806 CG2 VAL87 11.181 51.186 30.300 1.00 37.44 ATOM 1807 N ALA 88 8.500 53.16929.983 1.00 37.69 ATOM 1808 CA ALA 88 7.412 53.758 30.793 1.00 39.22ATOM 1809 C ALA 88 6.275 54.182 29.879 1.00 39.76 ATOM 1810 O ALA 885.118 53.774 30.063 1.00 40.54 ATOM 1811 CB ALA 88 7.930 54.975 31.5291.00 39.27 ATOM 1812 N LEU 89 6.607 54.998 28.880 1.00 39.88 ATOM 1813CA LEU 89 5.615 55.547 27.936 1.00 40.55 ATOM 1814 C LEU 89 4.903 54.46427.096 1.00 39.98 ATOM 1815 O LEU 89 3.701 54.531 26.799 1.00 40.50 ATOM1816 CB LEU 89 6.293 56.582 27.020 1.00 40.81 ATOM 1817 CG LEU 89 5.48257.249 25.912 1.00 41.42 ATOM 1818 CD1 LEU 89 4.311 58.032 26.507 1.0043.86 ATOM 1819 CD2 LEU 89 6.373 58.178 25.071 1.00 41.85 ATOM 1820 NLEU 90 5.634 53.451 26.699 1.00 39.63 ATOM 1821 CA LEU 90 4.988 52.41725.934 1.00 39.66 ATOM 1822 C LEU 90 4.345 51.391 26.854 1.00 39.64 ATOM1823 O LEU 90 3.830 50.375 26.394 1.00 40.47 ATOM 1824 CB LEU 90 5.97551.790 24.943 1.00 38.91 ATOM 1825 CG LEU 90 5.850 52.779 23.753 1.0040.39 ATOM 1826 CD1 LEU 90 7.044 53.680 23.526 1.00 36.51 ATOM 1827 CD2LEU 90 5.400 52.126 22.503 1.00 38.67 ATOM 1828 N ASP 91 4.389 51.64928.159 1.00 40.21 ATOM 1829 CA ASP 91 3.915 50.674 29.157 1.00 39.95ATOM 1830 C ASP 91 4.453 49.246 28.929 1.00 38.80 ATOM 1831 O ASP 913.678 48.282 28.926 1.00 38.19 ATOM 1832 CB ASP 91 2.355 50.685 29.2851.00 40.89 ATOM 1833 CG ASP 91 1.796 51.938 30.023 1.00 43.50 ATOM 1834OD1 ASP 91 2.494 52.475 30.931 1.00 46.25 ATOM 1835 OD2 ASP 91 0.64552.381 29.723 1.00 42.88 ATOM 1836 N SER 92 5.775 49.093 28.785 1.0038.12 ATOM 1837 CA SER 92 6.384 47.747 28.609 1.00 37.45 ATOM 1838 C SER92 7.380 47.396 29.694 1.00 38.08 ATOM 1839 O SER 92 7.959 48.304 30.3171.00 38.79 ATOM 1840 CB SER 92 7.087 47.633 27.263 1.00 37.32 ATOM 1841OG SER 92 7.773 46.388 27.125 1.00 36.68 ATOM 1842 N ARG 93 7.604 46.09729.905 1.00 38.34 ATOM 1843 CA ARG 93 8.632 45.629 30.871 1.00 39.41ATOM 1844 C ARG 93 10.085 45.856 30.407 1.00 38.10 ATOM 1845 O ARG 9311.001 45.895 31.225 1.00 35.83 ATOM 1846 CB ARG 93 8.453 44.139 31.2471.00 41.31 ATOM 1847 CG ARG 93 8.978 43.121 30.205 1.00 44.67 ATOM 1848CD ARG 93 9.790 41.938 30.865 1.00 50.90 ATOM 1849 NE ARG 93 10.20640.824 29.954 1.00 51.36 ATOM 1850 CZ ARG 93 11.437 40.590 29.478 1.0051.92 ATOM 1851 NH1 ARG 93 12.467 41.370 29.790 1.00 54.64 ATOM 1852 NH2ARG 93 11.641 39.537 28.689 1.00 53.40 ATOM 1853 N ALA 94 10.292 45.96429.082 1.00 36.95 ATOM 1854 CA ALA 94 11.653 46.011 28.533 1.00 35.38ATOM 1855 C ALA 94 11.703 46.705 27.171 1.00 35.03 ATOM 1856 O ALA 9410.680 46.841 26.484 1.00 33.23 ATOM 1857 CB ALA 94 12.245 44.572 28.4311.00 34.91 TER ENDMDL MODEL 2 TER ATOM 1 N ARG 14 51.699 63.155 −25.9901.00 59.94 ATOM 2 CA ARG 14 50.569 64.101 −25.839 1.00 60.10 ATOM 3 CARG 14 49.765 63.744 −24.590 1.00 59.52 ATOM 4 O ARG 14 49.543 62.552−24.283 1.00 59.50 ATOM 5 CB ARG 14 49.727 64.169 −27.117 1.00 60.86ATOM 6 CG ARG 14 50.102 65.332 −28.041 1.00 62.47 ATOM 7 CD ARG 1451.596 65.658 −28.056 1.00 66.68 ATOM 8 NE ARG 14 52.030 66.690 −27.0941.00 66.83 ATOM 9 CZ ARG 14 52.974 66.531 −26.153 1.00 74.89 ATOM 10 NH1ARG 14 53.616 65.358 −25.985 1.00 70.24 ATOM 11 NH2 ARG 14 53.281 67.559−25.359 1.00 70.54 ATOM 12 N ASN 15 49.332 64.800 −23.892 1.00 58.31ATOM 13 CA ASN 15 49.230 64.790 −22.425 1.00 56.79 ATOM 14 C ASN 1547.825 64.669 −21.839 1.00 54.53 ATOM 15 O ASN 15 47.622 63.943 −20.8621.00 55.84 ATOM 16 CB ASN 15 49.946 66.021 −21.842 1.00 57.64 ATOM 17 CGASN 15 51.363 65.720 −21.380 1.00 58.56 ATOM 18 OD1 ASN 15 51.644 64.656−20.812 1.00 59.64 ATOM 19 ND2 ASN 15 52.266 66.681 −21.597 1.00 59.50ATOM 20 N LEU 16 46.876 65.374 −22.445 1.00 50.71 ATOM 21 CA LEU 1645.451 65.266 −22.128 1.00 45.72 ATOM 22 C LEU 16 45.008 66.059 −20.8971.00 42.62 ATOM 23 O LEU 16 45.480 65.849 −19.781 1.00 41.21 ATOM 24 CBLEU 16 44.990 63.823 −22.066 1.00 46.03 ATOM 25 CG LEU 16 44.014 63.129−23.024 1.00 45.53 ATOM 26 CD1 LEU 16 44.094 63.555 −24.479 1.00 46.94ATOM 27 CD2 LEU 16 44.289 61.658 −22.907 1.00 42.24 ATOM 28 N PRO 1744.091 66.999 −21.118 1.00 39.73 ATOM 29 CA PRO 17 43.589 67.732 −19.9761.00 37.59 ATOM 30 C PRO 17 42.594 66.792 −19.285 1.00 35.06 ATOM 31 OPRO 17 41.991 65.908 −19.928 1.00 34.66 ATOM 32 CB PRO 17 42.862 68.914−20.612 1.00 37.49 ATOM 33 CG PRO 17 42.391 68.361 −21.904 1.00 38.46ATOM 34 CD PRO 17 43.431 67.395 −22.375 1.00 39.21 ATOM 35 N ILE 1842.450 66.965 −17.988 1.00 32.48 ATOM 36 CA ILE 18 41.485 66.174 −17.2341.00 29.75 ATOM 37 C ILE 18 40.315 67.048 −16.866 1.00 28.71 ATOM 38 OILE 18 40.492 68.138 −16.313 1.00 29.46 ATOM 39 CB ILE 18 42.172 65.505−16.010 1.00 29.27 ATOM 40 CG1 ILE 18 43.186 64.487 −16.555 1.00 28.75ATOM 41 CG2 ILE 18 41.139 64.819 −15.144 1.00 26.93 ATOM 42 CD1 ILE 1844.188 64.021 −15.568 1.00 29.65 ATOM 43 N ASN 19 39.124 66.588 −17.2181.00 27.84 ATOM 44 CA ASN 19 37.917 67.332 −17.011 1.00 28.72 ATOM 45 CASN 19 37.791 67.749 −15.535 1.00 29.30 ATOM 46 O ASN 19 37.556 68.901−15.230 1.00 29.67 ATOM 47 CB ASN 19 36.692 66.523 −17.443 1.00 27.56ATOM 48 CG ASN 19 36.566 66.383 −18.934 1.00 30.11 ATOM 49 OD1 ASN 1935.628 66.910 −19.537 1.00 35.03 ATOM 50 ND2 ASN 19 37.457 65.617−19.541 1.00 26.59 ATOM 51 N GLY 22 40.265 65.648 −8.214 1.00 25.74 ATOM52 CA GLY 22 40.312 66.105 −6.847 1.00 25.43 ATOM 53 C GLY 22 39.91265.005 −5.893 1.00 25.13 ATOM 54 O GLY 22 40.462 63.857 −5.962 1.0024.40 ATOM 55 N TYR 50 39.658 71.451 −12.980 1.00 30.77 ATOM 56 CA TYR50 40.097 71.065 −14.333 1.00 31.30 ATOM 57 C TYR 50 41.584 71.055−14.291 1.00 31.89 ATOM 58 O TYR 50 42.174 71.917 −13.663 1.00 31.71ATOM 59 CB TYR 50 39.619 72.128 −15.301 1.00 32.58 ATOM 60 CG TYR 5040.188 72.091 −16.695 1.00 33.26 ATOM 61 CD1 TYR 50 39.629 71.282−17.651 1.00 32.16 ATOM 62 CD2 TYR 50 41.235 72.942 −17.067 1.00 34.15ATOM 63 CE1 TYR 50 40.135 71.254 −18.975 1.00 35.06 ATOM 64 CE2 TYR 5041.748 72.932 −18.387 1.00 34.47 ATOM 65 CZ TYR 50 41.182 72.084 −19.3181.00 34.05 ATOM 66 OH TYR 50 41.636 72.058 −20.629 1.00 36.34 ATOM 67 NLEU 51 42.199 70.064 −14.925 1.00 32.43 ATOM 68 CA LEU 51 43.649 69.995−15.047 1.00 33.24 ATOM 69 C LEU 51 44.061 70.148 −16.526 1.00 33.57ATOM 70 O LEU 51 43.695 69.305 −17.330 1.00 31.07 ATOM 71 CB LEU 5144.161 68.642 −14.528 1.00 32.42 ATOM 72 CG LEU 51 45.656 68.642 −14.2771.00 33.30 ATOM 73 CD1 LEU 51 46.001 69.646 −13.207 1.00 32.77 ATOM 74CD2 LEU 51 46.156 67.251 −13.840 1.00 33.73 ATOM 75 N PRO 52 44.80371.240 −16.884 1.00 35.48 ATOM 76 CA PRO 52 45.196 71.393 −18.303 1.0036.24 ATOM 77 C PRO 52 46.242 70.341 −18.713 1.00 37.08 ATOM 78 O PRO 5246.981 69.804 −17.867 1.00 35.03 ATOM 79 CB PRO 52 45.803 72.800 −18.3781.00 36.44 ATOM 80 CG PRO 52 46.191 73.152 −16.968 1.00 37.84 ATOM 81 CDPRO 52 45.255 72.361 −16.042 1.00 35.65 ATOM 82 N ALA 53 46.312 70.068−20.008 1.00 39.26 ATOM 83 CA ALA 53 47.259 69.078 −20.509 1.00 41.52ATOM 84 C ALA 53 48.632 69.158 −19.902 1.00 43.70 ATOM 85 O ALA 5349.213 68.120 −19.542 1.00 44.05 ATOM 86 CB ALA 53 47.343 69.125 −22.0281.00 41.87 ATOM 87 N GLU 54 49.176 70.369 −19.770 1.00 46.18 ATOM 88 CAGLU 54 50.595 70.473 −19.416 1.00 48.84 ATOM 89 C GLU 54 50.950 70.231−17.960 1.00 48.48 ATOM 90 O GLU 54 52.143 70.110 −17.626 1.00 48.68ATOM 91 CB GLU 54 51.290 71.741 −19.988 1.00 49.42 ATOM 92 CG GLU 5450.930 73.116 −19.376 1.00 51.16 ATOM 93 CD GLU 54 51.905 74.263 −19.8531.00 52.55 ATOM 94 OE1 GLU 54 51.600 75.467 −19.611 1.00 55.01 ATOM 95OE2 GLU 54 52.984 73.964 −20.462 1.00 56.97 ATOM 96 N GLN 55 49.94370.156 −17.098 1.00 47.97 ATOM 97 CA GLN 55 50.192 70.024 −15.657 1.0048.24 ATOM 98 C GLN 55 50.070 68.560 −15.229 1.00 47.26 ATOM 99 O GLN 5549.114 67.887 −15.588 1.00 46.59 ATOM 100 CB GLN 55 49.222 70.920−14.877 1.00 48.23 ATOM 101 CG GLN 55 49.460 70.937 −13.359 1.00 49.79ATOM 102 CD GLN 55 48.669 72.024 −12.661 1.00 49.97 ATOM 103 OE1 GLN 5548.367 73.045 −13.266 1.00 53.57 ATOM 104 NE2 GLN 55 48.337 71.819−11.382 1.00 50.86 ATOM 105 N LYS 56 51.043 68.068 −14.471 1.00 47.46ATOM 106 CA LYS 56 51.091 66.651 −14.130 1.00 48.23 ATOM 107 C LYS 5649.978 66.288 −13.149 1.00 47.43 ATOM 108 O LYS 56 49.311 65.270 −13.3231.00 47.38 ATOM 109 CB LYS 56 52.461 66.246 −13.542 1.00 48.49 ATOM 110CG LYS 56 52.559 64.719 −13.239 1.00 50.23 ATOM 111 CD LYS 56 53.83864.316 −12.483 1.00 51.07 ATOM 112 CE LYS 56 54.040 65.144 −11.199 1.0054.39 ATOM 113 NZ LYS 56 55.448 65.054 −10.676 1.00 56.64 ATOM 114 N GLY57 49.801 67.120 −12.124 1.00 46.67 ATOM 115 CA GLY 57 48.811 66.866−11.099 1.00 46.24 ATOM 116 C GLY 57 48.282 68.107 −10.412 1.00 46.03ATOM 117 O GLY 57 48.843 69.212 −10.570 1.00 46.27 ATOM 118 N THR 5847.195 67.911 −9.654 1.00 45.17 ATOM 119 CA THR 58 46.597 68.937 −8.8101.00 43.95 ATOM 120 C THR 58 47.170 68.864 −7.387 1.00 43.93 ATOM 121 OTHR 58 48.149 68.150 −7.156 1.00 43.84 ATOM 122 CB THR 58 45.031 68.866−8.784 1.00 43.76 ATOM 123 OG1 THR 58 44.529 70.079 −8.239 1.00 42.58ATOM 124 CG2 THR 58 44.481 67.663 −7.957 1.00 41.26 ATOM 125 N HIS 5946.542 69.590 −6.456 1.00 42.61 ATOM 126 CA HIS 59 47.038 69.729 −5.0971.00 42.55 ATOM 127 C HIS 59 46.006 69.244 −4.075 1.00 41.58 ATOM 128 OHIS 59 45.185 70.018 −3.565 1.00 40.93 ATOM 129 CB HIS 59 47.431 71.174−4.868 1.00 43.03 ATOM 130 CG HIS 59 48.369 71.688 −5.915 1.00 46.13ATOM 131 ND1 HIS 59 47.926 72.295 −7.076 1.00 48.89 ATOM 132 CD2 HIS 5949.716 71.610 −6.019 1.00 48.32 ATOM 133 CE1 HIS 59 48.966 72.593 −7.8401.00 48.82 ATOM 134 NE2 HIS 59 50.063 72.187 −7.222 1.00 50.35 ATOM 135N MET 60 46.054 67.949 −3.790 1.00 40.23 ATOM 136 CA MET 60 44.93667.253 −3.145 1.00 38.85 ATOM 137 C MET 60 44.631 67.691 −1.718 1.0037.25 ATOM 138 O MET 60 43.465 67.703 −1.303 1.00 37.16 ATOM 139 CB MET60 45.147 65.734 −3.231 1.00 40.07 ATOM 140 CG MET 60 45.182 65.202−4.688 1.00 40.71 ATOM 141 SD MET 60 43.511 64.820 −5.252 1.00 45.21ATOM 142 CE MET 60 43.801 63.999 −6.813 1.00 42.50 ATOM 143 N SER 6145.652 68.067 −0.956 1.00 36.21 ATOM 144 CA SER 61 45.423 68.452 0.4291.00 35.39 ATOM 145 C SER 61 44.706 69.789 0.540 1.00 35.50 ATOM 146 OSER 61 44.116 70.095 1.581 1.00 35.82 ATOM 147 CB SER 61 46.719 68.5191.204 1.00 36.22 ATOM 148 OG SER 61 47.456 69.699 0.911 1.00 36.27 ATOM149 N ARG 62 44.724 70.576 −0.533 1.00 34.65 ATOM 150 CA ARG 62 44.18871.946 −0.507 1.00 34.67 ATOM 151 C ARG 62 42.670 71.915 −0.519 1.0033.66 ATOM 152 O ARG 62 42.029 72.852 −0.064 1.00 33.93 ATOM 153 CB ARG62 44.700 72.765 −1.718 1.00 35.39 ATOM 154 CG ARG 62 46.213 73.028−1.757 1.00 35.71 ATOM 155 CD ARG 62 46.596 73.881 −2.992 1.00 36.59ATOM 156 NE ARG 62 48.060 73.991 −3.152 1.00 40.81 ATOM 157 CZ ARG 6248.673 74.793 −4.030 1.00 42.85 ATOM 158 NH1 ARG 62 47.947 75.568 −4.8331.00 42.89 ATOM 159 NH2 ARG 62 50.010 74.829 −4.101 1.00 39.58 ATOM 160N PHE 63 42.080 70.851 −1.073 1.00 31.76 ATOM 161 CA PHE 63 40.62170.685 −1.039 1.00 29.77 ATOM 162 C PHE 63 40.169 70.511 0.413 1.0029.97 ATOM 163 O PHE 63 39.205 71.121 0.833 1.00 29.60 ATOM 164 CB PHE63 40.155 69.450 −1.815 1.00 29.04 ATOM 165 CG PHE 63 40.440 69.502−3.280 1.00 24.94 ATOM 166 CD1 PHE 63 39.661 70.280 −4.105 1.00 25.06ATOM 167 CD2 PHE 63 41.475 68.758 −3.828 1.00 25.62 ATOM 168 CE1 PHE 6339.904 70.352 −5.464 1.00 25.26 ATOM 169 CE2 PHE 63 41.738 68.810 −5.2021.00 27.19 ATOM 170 CZ PHE 63 40.938 69.618 −6.022 1.00 26.37 ATOM 171 NVAL 64 40.880 69.691 1.178 1.00 29.57 ATOM 172 CA VAL 64 40.513 69.4762.578 1.00 29.55 ATOM 173 C VAL 64 40.837 70.749 3.361 1.00 30.87 ATOM174 O VAL 64 40.065 71.110 4.227 1.00 30.92 ATOM 175 CB VAL 64 41.25668.306 3.207 1.00 29.58 ATOM 176 CG1 VAL 64 40.690 68.037 4.582 1.0030.02 ATOM 177 CG2 VAL 64 41.126 67.008 2.311 1.00 27.42 ATOM 178 N ALA65 41.967 71.415 3.068 1.00 31.39 ATOM 179 CA ALA 65 42.338 72.696 3.7331.00 32.56 ATOM 180 C ALA 65 41.193 73.717 3.642 1.00 33.22 ATOM 181 OALA 65 40.842 74.399 4.620 1.00 33.73 ATOM 182 CB ALA 65 43.688 73.3013.097 1.00 32.21 ATOM 183 N LEU 66 40.610 73.829 2.448 1.00 33.30 ATOM184 CA LEU 66 39.528 74.760 2.226 1.00 32.82 ATOM 185 C LEU 66 38.36474.505 3.196 1.00 33.60 ATOM 186 O LEU 66 37.849 75.424 3.856 1.00 32.31ATOM 187 CB LEU 66 39.061 74.662 0.775 1.00 31.90 ATOM 188 CG LEU 6637.995 75.668 0.377 1.00 32.41 ATOM 189 CD1 LEU 66 38.590 77.115 0.3611.00 35.12 ATOM 190 CD2 LEU 66 37.421 75.285 −0.955 1.00 31.49 ATOM 191N VAL 87 38.796 77.246 −6.771 1.00 36.21 ATOM 192 CA VAL 87 39.56977.287 −8.040 1.00 37.84 ATOM 193 C VAL 87 40.803 78.166 −7.905 1.0039.36 ATOM 194 O VAL 87 41.838 77.892 −8.531 1.00 40.24 ATOM 195 CB VAL87 38.730 77.746 −9.245 1.00 38.61 ATOM 196 CG1 VAL 87 37.639 76.748−9.519 1.00 37.63 ATOM 197 CG2 VAL 87 38.122 79.147 −9.011 1.00 37.58ATOM 198 N ALA 88 40.699 79.210 −7.071 1.00 39.92 ATOM 199 CA ALA 8841.823 80.128 −6.824 1.00 40.37 ATOM 200 C ALA 88 42.893 79.477 −5.9871.00 40.95 ATOM 201 O ALA 88 44.082 79.564 −6.326 1.00 41.91 ATOM 202 CBALA 88 41.339 81.398 −6.156 1.00 40.29 ATOM 203 N LEU 89 42.467 78.793−4.917 1.00 40.06 ATOM 204 CA LEU 89 43.380 78.086 −4.017 1.00 40.50ATOM 205 C LEU 89 44.174 76.985 −4.745 1.00 39.98 ATOM 206 O LEU 8945.363 76.752 −4.462 1.00 38.44 ATOM 207 CB LEU 89 42.588 77.469 −2.8481.00 40.68 ATOM 208 CG LEU 89 43.370 76.638 −1.820 1.00 41.74 ATOM 209CD1 LEU 89 44.363 77.552 −1.059 1.00 44.04 ATOM 210 CD2 LEU 89 42.42675.936 −0.818 1.00 40.51 ATOM 211 N LEU 90 43.494 76.319 −5.678 1.0040.31 ATOM 212 CA LEU 90 44.053 75.180 −6.402 1.00 40.41 ATOM 213 C LEU90 44.739 75.607 −7.709 1.00 41.69 ATOM 214 O LEU 90 45.256 74.765−8.483 1.00 40.27 ATOM 215 CB LEU 90 42.955 74.186 −6.699 1.00 39.60ATOM 216 CG LEU 90 43.070 73.338 −5.455 1.00 38.10 ATOM 217 CD1 LEU 9041.936 73.564 −4.502 1.00 33.65 ATOM 218 CD2 LEU 90 43.272 71.963 −5.8341.00 34.46 ATOM 219 N ASP 91 44.738 76.926 −7.925 1.00 41.99 ATOM 220 CAASP 91 45.381 77.552 −9.110 1.00 42.31 ATOM 221 C ASP 91 44.863 76.971−10.409 1.00 41.35 ATOM 222 O ASP 91 45.669 76.497 −11.225 1.00 42.00ATOM 223 CB ASP 91 46.900 77.345 −9.073 1.00 42.72 ATOM 224 CG ASP 9147.545 77.948 −7.880 1.00 46.18 ATOM 225 OD1 ASP 91 47.169 79.083 −7.5031.00 52.04 ATOM 226 OD2 ASP 91 48.439 77.296 −7.313 1.00 48.88 ATOM 227N SER 92 43.543 76.994 −10.605 1.00 40.27 ATOM 228 CA SER 92 42.92076.417 −11.793 1.00 39.39 ATOM 229 C SER 92 41.864 77.332 −12.372 1.0040.36 ATOM 230 O SER 92 41.378 78.237 −11.699 1.00 42.15 ATOM 231 CB SER92 42.236 75.078 −11.488 1.00 39.41 ATOM 232 OG SER 92 41.483 74.625−12.630 1.00 34.46 ATOM 233 N ARG 93 41.454 77.042 −13.594 1.00 40.29ATOM 234 CA ARG 93 40.521 77.885 −14.309 1.00 42.05 ATOM 235 C ARG 9339.068 77.472 −14.088 1.00 40.68 ATOM 236 O ARG 93 38.152 78.227 −14.4281.00 41.97 ATOM 237 CB ARG 93 40.847 77.844 −15.799 1.00 42.19 ATOM 238CG ARG 93 39.854 77.034 −16.613 1.00 45.63 ATOM 239 CD ARG 93 40.38276.504 −17.978 1.00 46.18 ATOM 240 NE ARG 93 39.617 75.295 −18.363 1.0054.20 ATOM 241 CZ ARG 93 38.309 75.266 −18.680 1.00 54.69 ATOM 242 NH1ARG 93 37.576 76.384 −18.686 1.00 58.29 ATOM 243 NH2 ARG 93 37.72074.113 −18.984 1.00 56.33 ATOM 244 N ARG 105 36.120 36.645 −15.040 1.0026.77 ATOM 245 CA ARG 105 37.159 36.313 −15.992 1.00 29.12 ATOM 246 CARG 105 38.248 35.521 −15.275 1.00 30.18 ATOM 247 O ARG 105 38.65035.872 −14.149 1.00 30.90 ATOM 248 CB ARG 105 37.726 37.566 −16.629 1.0028.06 ATOM 249 CG ARG 105 38.582 37.254 −17.864 1.00 30.28 ATOM 250 CDARG 105 39.194 38.513 −18.372 1.00 32.89 ATOM 251 NE ARG 105 39.73538.397 −19.720 1.00 34.73 ATOM 252 CZ ARG 105 40.665 39.201 −20.218 1.0033.07 ATOM 253 NH1 ARG 105 41.174 40.185 −19.454 1.00 33.32 ATOM 254 NH2ARG 105 41.061 39.029 −21.482 1.00 31.76 ATOM 255 N LYS 106 38.70834.443 −15.909 1.00 31.12 ATOM 256 CA LYS 106 39.798 33.620 −15.380 1.0032.80 ATOM 257 C LYS 106 41.145 34.298 −15.628 1.00 32.96 ATOM 258 O LYS106 41.449 34.697 −16.783 1.00 33.18 ATOM 259 CB LYS 106 39.757 32.229−16.041 1.00 34.65 ATOM 260 CG LYS 106 40.696 31.185 −15.401 1.00 39.55ATOM 261 CD LYS 106 40.008 30.232 −14.406 1.00 47.35 ATOM 262 CE LYS 10638.963 29.324 −15.070 1.00 49.33 ATOM 263 NZ LYS 106 39.461 28.601−16.300 1.00 54.56 ATOM 264 N LYS 107 41.930 34.484 −14.557 1.00 31.08ATOM 265 CA LYS 107 43.263 35.059 −14.676 1.00 30.55 ATOM 266 C LYS 10744.327 34.034 −14.279 1.00 30.89 ATOM 267 O LYS 107 44.023 33.035−13.627 1.00 31.02 ATOM 268 CB LYS 107 43.437 36.302 −13.789 1.00 30.30ATOM 269 CG LYS 107 42.291 37.283 −13.910 1.00 30.97 ATOM 270 CD LYS 10742.610 38.648 −13.245 1.00 29.55 ATOM 271 CE LYS 107 43.721 39.346−13.925 1.00 27.26 ATOM 272 NZ LYS 107 43.937 40.678 −13.259 1.00 25.91ATOM 273 N THR 108 45.561 34.339 −14.645 1.00 31.14 ATOM 274 CA THR 10846.746 33.518 −14.404 1.00 32.51 ATOM 275 C THR 108 47.714 34.323−13.548 1.00 32.54 ATOM 276 O THR 108 48.188 35.392 −13.983 1.00 33.24ATOM 277 CB THR 108 47.397 33.254 −15.779 1.00 32.61 ATOM 278 OG1 THR108 46.422 32.634 −16.589 1.00 35.34 ATOM 279 CG2 THR 108 48.586 32.351−15.699 1.00 33.31 ATOM 280 N ALA 109 48.002 33.854 −12.335 1.00 33.07ATOM 281 CA ALA 109 49.018 34.514 −11.498 1.00 33.80 ATOM 282 C ALA 10950.355 34.702 −12.250 1.00 34.89 ATOM 283 O ALA 109 50.734 33.856−13.083 1.00 34.88 ATOM 284 CB ALA 109 49.209 33.734 −10.195 1.00 34.10ATOM 285 N PRO 110 51.057 35.844 −11.991 1.00 35.11 ATOM 286 CA PRO 11052.171 36.240 −12.837 1.00 35.19 ATOM 287 C PRO 110 53.463 35.436−12.693 1.00 35.83 ATOM 288 O PRO 110 54.287 35.522 −13.615 1.00 36.44ATOM 289 CB PRO 110 52.426 37.698 −12.426 1.00 35.24 ATOM 290 CG PRO 11051.888 37.802 −11.047 1.00 35.53 ATOM 291 CD PRO 110 50.757 36.844−10.945 1.00 33.91 ATOM 292 N VAL 111 53.642 34.688 −11.579 1.00 34.87ATOM 293 CA VAL 111 54.845 33.859 −11.401 1.00 34.55 ATOM 294 C VAL 11154.480 32.371 −11.361 1.00 34.44 ATOM 295 O VAL 111 54.889 31.613−12.217 1.00 34.73 ATOM 296 CB VAL 111 55.721 34.316 −10.201 1.00 35.20ATOM 297 CG1 VAL 111 56.926 33.367 −10.018 1.00 35.13 ATOM 298 CG2 VAL111 56.258 35.758 −10.458 1.00 33.36 ATOM 299 N SER 112 53.644 31.975−10.411 1.00 34.36 ATOM 300 CA SER 112 53.171 30.591 −10.301 1.00 33.65ATOM 301 C SER 112 52.276 30.124 −11.430 1.00 34.37 ATOM 302 O SER 11252.205 28.898 −11.716 1.00 34.40 ATOM 303 CB SER 112 52.457 30.385−8.980 1.00 33.85 ATOM 304 OG SER 112 51.195 31.061 −8.954 1.00 32.93ATOM 305 N GLY 113 51.573 31.072 −12.067 1.00 33.94 ATOM 306 CA GLY 11350.585 30.736 −13.125 1.00 32.54 ATOM 307 C GLY 113 49.345 30.023−12.624 1.00 33.41 ATOM 308 O GLY 113 48.569 29.470 −13.442 1.00 32.86ATOM 309 N ILE 114 49.131 30.036 −11.289 1.00 33.45 ATOM 310 CA ILE 11447.931 29.430 −10.697 1.00 34.24 ATOM 311 C ILE 114 46.768 30.282−11.217 1.00 34.53 ATOM 312 O ILE 114 46.890 31.519 −11.331 1.00 33.15ATOM 313 CB ILE 114 47.910 29.455 −9.134 1.00 35.17 ATOM 314 CG1 ILE 11449.151 28.779 −8.519 1.00 38.77 ATOM 315 CG2 ILE 114 46.701 28.738−8.582 1.00 33.39 ATOM 316 CD1 ILE 114 49.226 27.332 −8.731 1.00 42.74ATOM 317 N ARG 115 45.664 29.624 −11.562 1.00 34.61 ATOM 318 CA ARG 11544.558 30.341 −12.189 1.00 35.62 ATOM 319 C ARG 115 43.499 30.661−11.134 1.00 33.87 ATOM 320 O ARG 115 43.329 29.908 −10.171 1.00 32.92ATOM 321 CB ARG 115 43.976 29.576 −13.399 1.00 35.86 ATOM 322 CG ARG 11545.049 29.195 −14.495 1.00 39.50 ATOM 323 CD ARG 115 44.457 29.202−15.918 1.00 41.37 ATOM 324 NE ARG 115 44.156 30.581 −16.349 1.00 49.17ATOM 325 CZ ARG 115 43.421 30.934 −17.420 1.00 50.07 ATOM 326 NH1 ARG115 42.877 30.002 −18.205 1.00 52.25 ATOM 327 NH2 ARG 115 43.228 32.238−17.705 1.00 50.44 ATOM 328 N SER 116 42.829 31.808 −11.305 1.00 32.49ATOM 329 CA SER 116 41.712 32.164 −10.444 1.00 31.24 ATOM 330 C SER 11640.804 33.216 −11.123 1.00 30.84 ATOM 331 O SER 116 41.201 33.934−12.080 1.00 31.63 ATOM 332 CB SER 116 42.218 32.585 −9.021 1.00 31.35ATOM 333 OG SER 116 42.970 33.795 −9.062 1.00 29.62 ATOM 334 N LEU 11739.573 33.282 −10.665 1.00 29.03 ATOM 335 CA LEU 117 38.620 34.242−11.222 1.00 28.26 ATOM 336 C LEU 117 38.876 35.615 −10.633 1.00 27.66ATOM 337 O LEU 117 39.382 35.753 −9.495 1.00 27.40 ATOM 338 CB LEU 11737.170 33.830 −10.922 1.00 27.18 ATOM 339 CG LEU 117 36.731 32.487−11.525 1.00 27.76 ATOM 340 CD1 LEU 117 35.345 32.155 −11.063 1.00 26.57ATOM 341 CD2 LEU 117 36.831 32.452 −13.070 1.00 28.10 ATOM 342 N LEU 11838.495 36.637 −11.388 1.00 26.69 ATOM 343 CA LEU 118 38.297 37.963−10.773 1.00 25.88 ATOM 344 C LEU 118 36.918 38.468 −11.237 1.00 24.69ATOM 345 O LEU 118 36.471 38.091 −12.322 1.00 22.82 ATOM 346 CB LEU 11839.392 38.921 −11.221 1.00 26.05 ATOM 347 CG LEU 118 39.524 40.162−10.290 1.00 27.63 ATOM 348 CD1 LEU 118 40.096 39.788 −8.861 1.00 29.00ATOM 349 CD2 LEU 118 40.387 41.128 −10.945 1.00 27.18 ATOM 350 N PRO 14238.636 46.847 −10.939 1.00 23.23 ATOM 351 CA PRO 142 39.398 47.173−9.753 1.00 23.79 ATOM 352 C PRO 142 40.866 46.809 −9.963 1.00 24.65ATOM 353 O PRO 142 41.162 45.753 −10.563 1.00 25.09 ATOM 354 CB PRO 14238.715 46.295 −8.699 1.00 24.09 ATOM 355 CG PRO 142 38.391 44.964 −9.5391.00 23.27 ATOM 356 CD PRO 142 37.978 45.519 −10.870 1.00 23.22 ATOM 357N VAL 143 41.771 47.687 −9.512 1.00 24.51 ATOM 358 CA VAL 143 43.21047.555 −9.769 1.00 25.26 ATOM 359 C VAL 143 43.912 48.079 −8.527 1.0026.54 ATOM 360 O VAL 143 43.270 48.615 −7.611 1.00 25.34 ATOM 361 CB VAL143 43.698 48.366 −11.032 1.00 24.57 ATOM 362 CG1 VAL 143 42.985 47.887−12.322 1.00 25.48 ATOM 363 CG2 VAL 143 43.463 49.910 −10.826 1.00 23.63ATOM 364 N THR 144 45.225 47.878 −8.503 1.00 27.67 ATOM 365 CA THR 14446.106 48.449 −7.510 1.00 27.19 ATOM 366 C THR 144 46.653 49.802 −8.0051.00 27.74 ATOM 367 O THR 144 47.110 49.884 −9.150 1.00 27.09 ATOM 368CB THR 144 47.302 47.525 −7.281 1.00 27.10 ATOM 369 OG1 THR 144 46.82746.219 −6.909 1.00 24.38 ATOM 370 CG2 THR 144 48.174 48.091 −6.162 1.0028.95 ATOM 371 N SER 145 46.572 50.851 −7.157 1.00 26.89 ATOM 372 CA SER145 47.241 52.127 −7.442 1.00 27.89 ATOM 373 C SER 145 48.318 52.371−6.381 1.00 28.66 ATOM 374 O SER 145 48.130 52.002 −5.237 1.00 28.16ATOM 375 CB SER 145 46.217 53.288 −7.504 1.00 28.02 ATOM 376 OG SER 14545.570 53.460 −6.232 1.00 26.68 ATOM 377 N LEU 146 49.460 52.952 −6.7561.00 29.89 ATOM 378 CA LEU 146 50.545 53.212 −5.789 1.00 29.68 ATOM 379C LEU 146 51.070 54.633 −5.993 1.00 30.59 ATOM 380 O LEU 146 51.22955.058 −7.132 1.00 28.81 ATOM 381 CB LEU 146 51.662 52.183 −5.962 1.0029.41 ATOM 382 CG LEU 146 52.892 52.265 −5.020 1.00 29.93 ATOM 383 CD1LEU 146 53.407 50.894 −4.667 1.00 27.71 ATOM 384 CD2 LEU 146 54.01853.136 −5.659 1.00 28.67 ATOM 385 N CYS 147 51.337 55.375 −4.903 1.0031.66 ATOM 386 CA CYS 147 51.527 56.839 −5.043 1.00 31.98 ATOM 387 C CYS147 52.968 57.271 −5.421 1.00 31.99 ATOM 388 O CYS 147 53.908 57.022−4.649 1.00 31.52 ATOM 389 CB CYS 147 51.081 57.556 −3.767 1.00 31.07ATOM 390 SG CYS 147 51.160 59.374 −3.962 1.00 34.30 ATOM 391 N PRO 14853.160 57.932 −6.599 1.00 32.55 ATOM 392 CA PRO 148 54.563 58.342 −6.9621.00 33.44 ATOM 393 C PRO 148 55.189 59.356 −5.986 1.00 34.23 ATOM 394 OPRO 148 56.410 59.363 −5.794 1.00 34.47 ATOM 395 CB PRO 148 54.42058.991 −8.350 1.00 33.47 ATOM 396 CG PRO 148 53.058 58.526 −8.878 1.0033.36 ATOM 397 CD PRO 148 52.191 58.286 −7.641 1.00 32.15 ATOM 398 N CYS149 54.353 60.186 −5.358 1.00 35.48 ATOM 399 CA CYS 149 54.815 61.208−4.420 1.00 34.64 ATOM 400 C CYS 149 55.291 60.533 −3.120 1.00 33.98ATOM 401 O CYS 149 56.400 60.836 −2.588 1.00 33.37 ATOM 402 CB CYS 14953.683 62.215 −4.164 1.00 34.81 ATOM 403 SG CYS 149 54.068 63.434 −2.8631.00 41.23 ATOM 404 N SER 150 54.474 59.586 −2.636 1.00 32.17 ATOM 405CA SER 150 54.840 58.743 −1.498 1.00 31.42 ATOM 406 C SER 150 56.18757.998 −1.673 1.00 31.54 ATOM 407 O SER 150 57.066 58.051 −0.783 1.0031.16 ATOM 408 CB SER 150 53.698 57.728 −1.218 1.00 31.09 ATOM 409 OGSER 150 54.012 56.905 −0.114 1.00 28.82 ATOM 410 N LYS 151 56.340 57.283−2.787 1.00 30.89 ATOM 411 CA LYS 151 57.609 56.647 −3.108 1.00 32.75ATOM 412 C LYS 151 58.783 57.685 −3.082 1.00 34.08 ATOM 413 O LYS 15159.806 57.498 −2.380 1.00 35.64 ATOM 414 CB LYS 151 57.521 55.977 −4.5061.00 31.90 ATOM 415 CG LYS 151 58.790 55.268 −4.942 1.00 31.20 ATOM 416CD LYS 151 58.619 54.627 −6.326 1.00 31.30 ATOM 417 CE LYS 151 59.95254.049 −6.776 1.00 33.03 ATOM 418 NZ LYS 151 59.848 53.308 −8.026 1.0030.24 ATOM 419 N GLU 152 58.639 58.749 −3.850 1.00 35.50 ATOM 420 CA GLU152 59.707 59.745 −4.032 1.00 38.06 ATOM 421 C GLU 152 60.216 60.387−2.718 1.00 38.25 ATOM 422 O GLU 152 61.426 60.523 −2.526 1.00 39.41ATOM 423 CB GLU 152 59.253 60.823 −5.017 1.00 39.11 ATOM 424 CG GLU 15260.091 62.096 −4.985 1.00 45.31 ATOM 425 CD GLU 152 59.694 63.051 −6.0691.00 52.84 ATOM 426 OE1 GLU 152 58.956 64.019 −5.769 1.00 57.04 ATOM 427OE2 GLU 152 60.086 62.806 −7.237 1.00 57.07 ATOM 428 N ILE 153 59.30260.775 −1.824 1.00 37.49 ATOM 429 CA ILE 153 59.688 61.492 −0.608 1.0037.01 ATOM 430 C ILE 153 60.152 60.522 0.517 1.00 37.61 ATOM 431 O ILE153 60.871 60.943 1.429 1.00 37.14 ATOM 432 CB ILE 153 58.543 62.463−0.113 1.00 37.48 ATOM 433 CG1 ILE 153 57.332 61.670 0.436 1.00 37.02ATOM 434 CG2 ILE 153 58.110 63.473 −1.257 1.00 35.87 ATOM 435 CD1 ILE153 56.064 62.465 0.708 1.00 36.43 ATOM 436 N SER 154 59.742 59.2360.451 1.00 36.39 ATOM 437 CA SER 154 59.982 58.295 1.561 1.00 36.06 ATOM438 C SER 154 61.247 57.527 1.398 1.00 36.42 ATOM 439 O SER 154 61.59457.143 0.288 1.00 36.52 ATOM 440 CB SER 154 58.810 57.316 1.733 1.0034.92 ATOM 441 OG SER 154 57.623 58.073 1.874 1.00 34.60 ATOM 442 N GLN155 61.952 57.274 2.491 1.00 37.31 ATOM 443 CA GLN 155 63.209 56.5102.338 1.00 39.20 ATOM 444 C GLN 155 62.959 55.059 2.004 1.00 38.30 ATOM445 O GLN 155 63.840 54.363 1.475 1.00 37.74 ATOM 446 CB GLN 155 64.12956.635 3.565 1.00 40.45 ATOM 447 CG GLN 155 63.556 56.180 4.895 1.0042.35 ATOM 448 CD GLN 155 64.560 56.373 6.021 1.00 42.99 ATOM 449 OE1GLN 155 65.753 56.075 5.856 1.00 45.28 ATOM 450 NE2 GLN 155 64.08656.879 7.171 1.00 46.69 ATOM 451 N TYR 156 61.739 54.610 2.305 1.0037.89 ATOM 452 CA TYR 156 61.285 53.248 1.997 1.00 36.80 ATOM 453 C TYR156 59.761 53.190 2.042 1.00 36.04 ATOM 454 O TYR 156 59.130 54.0762.647 1.00 36.63 ATOM 455 CB TYR 156 61.934 52.218 2.936 1.00 36.72 ATOM456 CG TYR 156 62.101 52.631 4.392 1.00 36.70 ATOM 457 CD1 TYR 15661.034 53.108 5.141 1.00 37.81 ATOM 458 CD2 TYR 156 63.346 52.526 5.0261.00 38.83 ATOM 459 CE1 TYR 156 61.201 53.472 6.492 1.00 37.24 ATOM 460CE2 TYR 156 63.520 52.874 6.405 1.00 38.26 ATOM 461 CZ TYR 156 62.45653.334 7.110 1.00 37.10 ATOM 462 OH TYR 156 62.629 53.656 8.447 1.0037.14 ATOM 463 N GLY 157 59.159 52.204 1.365 1.00 34.75 ATOM 464 CA GLY157 57.687 52.157 1.303 1.00 33.03 ATOM 465 C GLY 157 57.048 53.1250.316 1.00 31.76 ATOM 466 O GLY 157 57.700 54.071 −0.178 1.00 30.74 ATOM467 N ALA 158 55.778 52.870 0.010 1.00 30.83 ATOM 468 CA ALA 158 54.96753.774 −0.799 1.00 31.12 ATOM 469 C ALA 158 53.511 53.422 −0.556 1.0030.73 ATOM 470 O ALA 158 53.158 52.234 −0.675 1.00 31.76 ATOM 471 CB ALA158 55.327 53.625 −2.295 1.00 30.85 ATOM 472 N HIS 159 52.661 54.390−0.177 1.00 28.96 ATOM 473 CA HIS 159 51.271 54.002 0.084 1.00 27.54ATOM 474 C HIS 159 50.593 53.588 −1.198 1.00 26.90 ATOM 475 O HIS 15950.909 54.116 −2.264 1.00 27.11 ATOM 476 CB HIS 159 50.445 55.046 0.8431.00 27.56 ATOM 477 CG HIS 159 49.942 56.201 0.023 1.00 27.53 ATOM 478ND1 HIS 159 48.771 56.137 −0.707 1.00 28.80 ATOM 479 CD2 HIS 159 50.38657.483 −0.080 1.00 25.15 ATOM 480 CE1 HIS 159 48.537 57.311 −1.261 1.0026.96 ATOM 481 NE2 HIS 159 49.509 58.145 −0.905 1.00 27.80 ATOM 482 NASN 160 49.683 52.626 −1.076 1.00 25.77 ATOM 483 CA ASN 160 49.02152.005 −2.233 1.00 24.99 ATOM 484 C ASN 160 47.670 51.560 −1.744 1.0025.23 ATOM 485 O ASN 160 47.413 51.549 −0.501 1.00 25.07 ATOM 486 CB ASN160 49.886 50.887 −2.882 1.00 24.72 ATOM 487 CG ASN 160 50.412 49.837−1.905 1.00 26.68 ATOM 488 OD1 ASN 160 51.537 49.971 −1.397 1.00 31.21ATOM 489 ND2 ASN 160 49.665 48.741 −1.721 1.00 22.78 ATOM 490 N GLN 16146.763 51.287 −2.659 1.00 24.62 ATOM 491 CA GLN 161 45.373 51.074 −2.2821.00 25.62 ATOM 492 C GLN 161 44.660 50.437 −3.461 1.00 25.75 ATOM 493 OGLN 161 45.160 50.509 −4.567 1.00 25.66 ATOM 494 CB GLN 161 44.66352.390 −1.948 1.00 24.86 ATOM 495 CG GLN 161 44.856 53.512 −3.004 1.0025.88 ATOM 496 CD GLN 161 46.155 54.290 −2.795 1.00 26.01 ATOM 497 OE1GLN 161 46.542 54.608 −1.652 1.00 25.80 ATOM 498 NE2 GLN 161 46.83554.609 −3.899 1.00 24.43 ATOM 499 N ARG 162 43.511 49.814 −3.202 1.0025.37 ATOM 500 CA ARG 162 42.654 49.399 −4.265 1.00 26.23 ATOM 501 C ARG162 42.032 50.654 −4.913 1.00 26.60 ATOM 502 O ARG 162 41.775 51.671−4.252 1.00 25.80 ATOM 503 CB ARG 162 41.556 48.495 −3.741 1.00 26.40ATOM 504 CG ARG 162 40.992 47.552 −4.879 1.00 29.11 ATOM 505 CD ARG 16239.866 46.616 −4.360 1.00 27.52 ATOM 506 NE ARG 162 40.374 45.658 −3.3811.00 26.18 ATOM 507 CZ ARG 162 39.603 45.119 −2.453 1.00 19.53 ATOM 508NH1 ARG 162 38.283 45.457 −2.374 1.00 23.76 ATOM 509 NH2 ARG 162 40.17944.253 −1.612 1.00 23.47 ATOM 510 N SER 163 41.787 50.544 −6.208 1.0026.65 ATOM 511 CA SER 163 41.244 51.627 −6.987 1.00 27.57 ATOM 512 C SER163 40.155 51.052 −7.909 1.00 26.82 ATOM 513 O SER 163 40.152 49.843−8.235 1.00 26.70 ATOM 514 CB SER 163 42.423 52.376 −7.657 1.00 27.35ATOM 515 OG SER 163 42.151 52.643 −9.023 1.00 35.69 ATOM 516 N HIS 16439.122 51.841 −8.156 1.00 24.51 ATOM 517 CA HIS 164 38.004 51.427 −9.0151.00 24.40 ATOM 518 C HIS 164 38.080 52.287 −10.243 1.00 23.64 ATOM 519O HIS 164 37.868 53.506 −10.154 1.00 23.83 ATOM 520 CB HIS 164 36.62351.581 −8.342 1.00 22.54 ATOM 521 CG HIS 164 36.351 50.532 −7.265 1.0026.02 ATOM 522 ND1 HIS 164 35.215 50.544 −6.470 1.00 26.46 ATOM 523 CD2HIS 164 37.072 49.449 −6.864 1.00 24.91 ATOM 524 CE1 HIS 164 35.27349.536 −5.602 1.00 27.18 ATOM 525 NE2 HIS 164 36.379 48.844 −5.837 1.0023.87 ATOM 526 N GLU 178 36.025 42.070 −22.347 1.00 27.67 ATOM 527 CAGLU 178 37.377 41.730 −21.959 1.00 27.98 ATOM 528 C GLU 178 38.38742.678 −22.559 1.00 27.24 ATOM 529 O GLU 178 39.453 42.873 −21.988 1.0025.70 ATOM 530 CB GLU 178 37.685 40.262 −22.280 1.00 28.97 ATOM 531 CGGLU 178 37.779 39.941 −23.817 1.00 32.86 ATOM 532 CD GLU 178 36.46540.133 −24.630 1.00 33.62 ATOM 533 OE1 GLU 178 35.328 39.936 −24.0921.00 34.70 ATOM 534 OE2 GLU 178 36.596 40.482 −25.829 1.00 31.93 ATOM535 N GLU 179 38.056 43.272 −23.720 1.00 26.74 ATOM 536 CA GLU 17938.884 44.273 −24.302 1.00 26.64 ATOM 537 C GLU 179 39.000 45.480−23.395 1.00 25.61 ATOM 538 O GLU 179 40.060 46.034 −23.237 1.00 26.26ATOM 539 CB GLU 179 38.303 44.699 −25.661 1.00 27.63 ATOM 540 CG GLU 17938.361 43.565 −26.687 1.00 30.31 ATOM 541 CD GLU 179 38.099 44.069−28.094 1.00 32.92 ATOM 542 OE1 GLU 179 39.042 44.622 −28.702 1.00 33.44ATOM 543 OE2 GLU 179 36.964 43.925 −28.543 1.00 32.90 ATOM 544 N VAL 18037.883 45.905 −22.809 1.00 25.11 ATOM 545 CA VAL 180 37.896 47.086−21.946 1.00 23.45 ATOM 546 C VAL 180 38.719 46.745 −20.705 1.00 23.67ATOM 547 O VAL 180 39.508 47.555 −20.236 1.00 23.44 ATOM 548 CB VAL 18036.480 47.466 −21.502 1.00 24.00 ATOM 549 CG1 VAL 180 36.479 48.682−20.487 1.00 21.69 ATOM 550 CG2 VAL 180 35.579 47.700 −22.690 1.00 21.64ATOM 551 N ILE 181 38.506 45.553 −20.151 1.00 22.91 ATOM 552 CA ILE 18139.317 45.101 −18.995 1.00 23.75 ATOM 553 C ILE 181 40.825 45.159−19.310 1.00 26.04 ATOM 554 O ILE 181 41.638 45.674 −18.478 1.00 27.11ATOM 555 CB ILE 181 38.911 43.630 −18.555 1.00 23.88 ATOM 556 CG1 ILE181 37.430 43.577 −18.071 1.00 21.17 ATOM 557 CG2 ILE 181 39.925 43.030−17.477 1.00 21.79 ATOM 558 CD1 ILE 181 36.943 42.131 −17.780 1.00 20.98ATOM 559 N ASP 182 41.225 44.643 −20.488 1.00 26.54 ATOM 560 CA ASP 18242.657 44.616 −20.814 1.00 26.69 ATOM 561 C ASP 182 43.199 46.024−20.957 1.00 25.88 ATOM 562 O ASP 182 44.296 46.286 −20.514 1.00 26.00ATOM 563 CB ASP 182 42.995 43.772 −22.070 1.00 27.60 ATOM 564 CG ASP 18242.783 42.263 −21.860 1.00 30.47 ATOM 565 OD1 ASP 182 42.991 41.759−20.746 1.00 31.48 ATOM 566 OD2 ASP 182 42.373 41.576 −22.814 1.00 33.73ATOM 567 N TYR 183 42.452 46.930 −21.589 1.00 26.54 ATOM 568 CA TYR 18342.882 48.337 −21.703 1.00 26.51 ATOM 569 C TYR 183 43.281 48.920−20.323 1.00 27.37 ATOM 570 O TYR 183 44.284 49.646 −20.180 1.00 28.29ATOM 571 CB TYR 183 41.761 49.172 −22.358 1.00 27.89 ATOM 572 CG TYR 18341.688 49.124 −23.877 1.00 27.72 ATOM 573 CD1 TYR 183 42.832 49.062−24.634 1.00 31.11 ATOM 574 CD2 TYR 183 40.457 49.185 −24.546 1.00 27.18ATOM 575 CE1 TYR 183 42.777 49.054 −26.075 1.00 32.80 ATOM 576 CE2 TYR183 40.377 49.157 −25.943 1.00 31.64 ATOM 577 CZ TYR 183 41.555 49.102−26.706 1.00 31.01 ATOM 578 OH TYR 183 41.507 49.115 −28.099 1.00 33.34ATOM 579 N VAL 184 42.476 48.626 −19.307 1.00 26.40 ATOM 580 CA VAL 18442.668 49.212 −17.997 1.00 24.57 ATOM 581 C VAL 184 43.796 48.478−17.240 1.00 25.20 ATOM 582 O VAL 184 44.694 49.099 −16.708 1.00 25.99ATOM 583 CB VAL 184 41.309 49.197 −17.190 1.00 23.34 ATOM 584 CG1 VAL184 41.538 49.434 −15.671 1.00 24.07 ATOM 585 CG2 VAL 184 40.331 50.295−17.729 1.00 21.77 ATOM 586 N GLU 185 43.711 47.159 −17.177 1.00 25.17ATOM 587 CA GLU 185 44.647 46.338 −16.391 1.00 25.55 ATOM 588 C GLU 18546.078 46.559 −16.857 1.00 27.14 ATOM 589 O GLU 185 47.019 46.547−16.027 1.00 26.38 ATOM 590 CB GLU 185 44.185 44.872 −16.421 1.00 25.17ATOM 591 CG GLU 185 42.920 44.621 −15.549 1.00 23.68 ATOM 592 CD GLU 18542.609 43.139 −15.318 1.00 26.50 ATOM 593 OE1 GLU 185 42.984 42.320−16.171 1.00 24.21 ATOM 594 OE2 GLU 185 41.987 42.784 −14.288 1.00 26.85ATOM 595 N THR 186 46.230 46.823 −18.172 1.00 27.44 ATOM 596 CA THR 18647.548 47.060 −18.780 1.00 29.10 ATOM 597 C THR 186 48.130 48.338−18.223 1.00 28.82 ATOM 598 O THR 186 49.335 48.470 −18.137 1.00 29.57ATOM 599 CB THR 186 47.488 47.249 −20.331 1.00 28.74 ATOM 600 OG1 THR186 46.989 46.059 −20.926 1.00 31.76 ATOM 601 CG2 THR 186 48.900 47.440−20.950 1.00 31.01 ATOM 602 N GLN 187 47.266 49.282 −17.880 1.00 27.63ATOM 603 CA GLN 187 47.734 50.582 −17.463 1.00 27.72 ATOM 604 C GLN 18747.895 50.719 −15.963 1.00 27.83 ATOM 605 O GLN 187 48.495 51.676−15.524 1.00 29.63 ATOM 606 CB GLN 187 46.797 51.676 −17.974 1.00 27.75ATOM 607 CG GLN 187 46.783 51.841 −19.519 1.00 26.73 ATOM 608 CD GLN 18748.157 52.026 −20.097 1.00 27.76 ATOM 609 OE1 GLN 187 49.015 52.720−19.533 1.00 30.15 ATOM 610 NE2 GLN 187 48.378 51.441 −21.239 1.00 28.32ATOM 611 N ALA 188 47.356 49.795 −15.176 1.00 27.23 ATOM 612 CA ALA 18847.369 49.946 −13.725 1.00 27.88 ATOM 613 C ALA 188 48.791 49.798−13.135 1.00 28.74 ATOM 614 O ALA 188 49.614 49.086 −13.715 1.00 28.55ATOM 615 CB ALA 188 46.445 48.903 −13.118 1.00 27.58 ATOM 616 N SER 18949.102 50.485 −12.010 1.00 28.35 ATOM 617 CA SER 189 50.358 50.203−11.299 1.00 28.39 ATOM 618 C SER 189 50.551 48.679 −11.159 1.00 28.75ATOM 619 O SER 189 51.626 48.161 −11.474 1.00 29.75 ATOM 620 CB SER 18950.435 50.919 −9.947 1.00 28.00 ATOM 621 OG SER 189 50.545 52.349−10.203 1.00 31.33 ATOM 622 N CYS 190 49.503 47.986 −10.730 1.00 28.89ATOM 623 CA CYS 190 49.416 46.536 −10.865 1.00 29.72 ATOM 624 C CYS 19047.958 46.096 −10.868 1.00 29.12 ATOM 625 O CYS 190 47.134 46.656−10.176 1.00 29.39 ATOM 626 CB CYS 190 50.183 45.813 −9.738 1.00 29.28ATOM 627 SG CYS 190 50.602 44.059 −10.127 1.00 31.60 ATOM 628 N GLN 19147.637 45.079 −11.649 1.00 28.56 ATOM 629 CA GLN 191 46.306 44.513−11.624 1.00 28.62 ATOM 630 C GLN 191 46.093 43.539 −10.431 1.00 28.18ATOM 631 O GLN 191 47.055 43.115 −9.816 1.00 30.09 ATOM 632 CB GLN 19146.007 43.833 −12.982 1.00 27.91 ATOM 633 CG GLN 191 46.917 42.657−13.269 1.00 29.69 ATOM 634 CD GLN 191 46.745 42.128 −14.681 1.00 28.05ATOM 635 OE1 GLN 191 45.815 41.379 −14.953 1.00 26.08 ATOM 636 NE2 GLN191 47.663 42.480 −15.563 1.00 27.88 ATOM 637 N LEU 192 44.838 43.159−10.165 1.00 27.13 ATOM 638 CA LEU 192 44.458 42.247 −9.084 1.00 26.58ATOM 639 C LEU 192 44.288 40.777 −9.519 1.00 26.86 ATOM 640 O LEU 19243.984 40.493 −10.665 1.00 26.33 ATOM 641 CB LEU 192 43.123 42.692−8.459 1.00 25.94 ATOM 642 CG LEU 192 42.975 44.148 −8.007 1.00 25.68ATOM 643 CD1 LEU 192 41.595 44.361 −7.442 1.00 24.34 ATOM 644 CD2 LEU192 44.038 44.511 −6.967 1.00 25.68 ATOM 645 N TYR 193 44.460 39.880−8.550 1.00 26.29 ATOM 646 CA TYR 193 44.264 38.410 −8.677 1.00 27.06ATOM 647 C TYR 193 43.652 37.912 −7.373 1.00 27.76 ATOM 648 O TYR 19343.991 38.458 −6.293 1.00 28.41 ATOM 649 CB TYR 193 45.624 37.737 −8.8201.00 26.43 ATOM 650 CG TYR 193 46.409 38.226 −10.009 1.00 26.85 ATOM 651CD1 TYR 193 46.305 37.586 −11.260 1.00 26.58 ATOM 652 CD2 TYR 193 47.24339.344 −9.887 1.00 28.66 ATOM 653 CE1 TYR 193 47.035 38.045 −12.367 1.0024.85 ATOM 654 CE2 TYR 193 47.967 39.818 −10.959 1.00 26.95 ATOM 655 CZTYR 193 47.841 39.172 −12.187 1.00 26.61 ATOM 656 OH TYR 193 48.58039.668 −13.189 1.00 26.01 ATOM 657 N GLY 194 42.805 36.879 −7.430 1.0027.45 ATOM 658 CA GLY 194 42.219 36.368 −6.211 1.00 28.39 ATOM 659 C GLY194 43.250 35.477 −5.558 1.00 29.37 ATOM 660 O GLY 194 43.404 35.433−4.351 1.00 29.71 ATOM 661 N LEU 195 43.997 34.760 −6.377 1.00 30.72ATOM 662 CA LEU 195 44.913 33.749 −5.828 1.00 30.71 ATOM 663 C LEU 19546.347 34.064 −6.172 1.00 29.77 ATOM 664 O LEU 195 46.736 34.103 −7.3301.00 28.47 ATOM 665 CB LEU 195 44.495 32.356 −6.282 1.00 30.93 ATOM 666CG LEU 195 44.897 31.120 −5.459 1.00 33.19 ATOM 667 CD1 LEU 195 44.30129.867 −6.174 1.00 33.40 ATOM 668 CD2 LEU 195 46.381 31.012 −5.430 1.0035.11 ATOM 669 N LEU 196 47.125 34.301 −5.120 1.00 29.88 ATOM 670 CA LEU196 48.509 34.678 −5.234 1.00 31.16 ATOM 671 C LEU 196 49.300 33.837−4.255 1.00 32.87 ATOM 672 O LEU 196 48.981 33.824 −3.049 1.00 31.79ATOM 673 CB LEU 196 48.716 36.158 −4.891 1.00 30.65 ATOM 674 CG LEU 19648.111 37.202 −5.856 1.00 31.74 ATOM 675 CD1 LEU 196 48.363 38.544−5.281 1.00 32.71 ATOM 676 CD2 LEU 196 48.735 37.132 −7.252 1.00 32.09ATOM 677 N LYS 197 50.312 33.151 −4.790 1.00 33.78 ATOM 678 CA LYS 19751.318 32.493 −3.980 1.00 36.74 ATOM 679 C LYS 197 52.431 33.510 −3.5731.00 36.95 ATOM 680 O LYS 197 52.487 34.658 −4.085 1.00 37.20 ATOM 681CB LYS 197 51.883 31.254 −4.722 1.00 37.53 ATOM 682 CG LYS 197 50.88530.079 −4.822 1.00 39.92 ATOM 683 CD LYS 197 50.542 29.675 −3.378 1.0044.49 ATOM 684 CE LYS 197 49.503 28.600 −3.289 1.00 49.11 ATOM 685 NZLYS 197 50.033 27.283 −3.746 1.00 51.33 ATOM 686 N ARG 198 53.316 33.087−2.673 1.00 36.70 ATOM 687 CA ARG 198 54.337 33.976 −2.112 1.00 37.70ATOM 688 C ARG 198 55.200 34.587 −3.247 1.00 36.39 ATOM 689 O ARG 19855.469 35.791 −3.250 1.00 35.97 ATOM 690 CB ARG 198 55.148 33.225 −1.0211.00 37.77 ATOM 691 CG ARG 198 56.366 33.946 −0.404 1.00 40.32 ATOM 692CD ARG 198 57.175 32.979 0.517 1.00 41.88 ATOM 693 NE ARG 198 58.57433.393 0.649 1.00 49.67 ATOM 694 CZ ARG 198 59.170 33.718 1.802 1.0051.87 ATOM 695 NH1 ARG 198 58.489 33.677 2.947 1.00 53.30 ATOM 696 NH2ARG 198 60.453 34.087 1.808 1.00 51.58 ATOM 697 N PRO 199 55.623 33.776−4.241 1.00 35.71 ATOM 698 CA PRO 199 56.383 34.445 −5.318 1.00 34.81ATOM 699 C PRO 199 55.516 35.443 −6.110 1.00 35.08 ATOM 700 O PRO 19956.055 36.446 −6.651 1.00 34.43 ATOM 701 CB PRO 199 56.823 33.291 −6.2081.00 34.84 ATOM 702 CG PRO 199 55.836 32.170 −5.874 1.00 35.30 ATOM 703CD PRO 199 55.517 32.321 −4.440 1.00 35.36 ATOM 704 N ASP 200 54.20135.173 −6.175 1.00 34.66 ATOM 705 CA ASP 200 53.252 36.049 −6.906 1.0035.25 ATOM 706 C ASP 200 53.062 37.348 −6.146 1.00 35.17 ATOM 707 O ASP200 53.055 38.437 −6.722 1.00 35.34 ATOM 708 CB ASP 200 51.908 35.366−7.035 1.00 35.09 ATOM 709 CG ASP 200 51.976 34.109 −7.874 1.00 35.57ATOM 710 OD1 ASP 200 52.551 34.160 −8.989 1.00 33.86 ATOM 711 OD2 ASP200 51.410 33.089 −7.420 1.00 35.70 ATOM 712 N GLU 201 52.943 37.224−4.831 1.00 35.17 ATOM 713 CA GLU 201 52.823 38.397 −3.976 1.00 34.49ATOM 714 C GLU 201 54.086 39.284 −4.066 1.00 34.61 ATOM 715 O GLU 20153.997 40.507 −4.171 1.00 32.47 ATOM 716 CB GLU 201 52.492 38.022 −2.5231.00 34.51 ATOM 717 CG GLU 201 52.407 39.289 −1.648 1.00 34.40 ATOM 718CD GLU 201 51.698 39.072 −0.353 1.00 36.89 ATOM 719 OE1 GLU 201 51.47537.926 0.017 1.00 40.24 ATOM 720 OE2 GLU 201 51.344 40.059 0.298 1.0036.83 ATOM 721 N LYS 202 55.260 38.656 −4.042 1.00 34.91 ATOM 722 CA LYS202 56.499 39.369 −4.256 1.00 35.18 ATOM 723 C LYS 202 56.511 40.155−5.589 1.00 34.53 ATOM 724 O LYS 202 56.870 41.335 −5.584 1.00 33.52ATOM 725 CB LYS 202 57.704 38.404 −4.144 1.00 36.19 ATOM 726 CG LYS 20258.953 38.888 −4.837 1.00 36.45 ATOM 727 CD LYS 202 60.187 37.956 −4.5381.00 36.73 ATOM 728 CE LYS 202 61.352 38.334 −5.420 1.00 38.08 ATOM 729NZ LYS 202 62.094 39.558 −5.001 1.00 38.27 ATOM 730 N TYR 203 56.13239.496 −6.695 1.00 34.14 ATOM 731 CA TYR 203 56.081 40.077 −8.049 1.0034.26 ATOM 732 C TYR 203 55.182 41.362 −8.081 1.00 33.41 ATOM 733 O TYR203 55.545 42.408 −8.591 1.00 32.66 ATOM 734 CB TYR 203 55.507 39.040−9.034 1.00 34.85 ATOM 735 CG TYR 203 55.420 39.550 −10.446 1.00 36.49ATOM 736 CD1 TYR 203 56.444 39.292 −11.371 1.00 37.59 ATOM 737 CD2 TYR203 54.323 40.333 −10.869 1.00 36.73 ATOM 738 CE1 TYR 203 56.386 39.791−12.694 1.00 38.56 ATOM 739 CE2 TYR 203 54.267 40.841 −12.195 1.00 38.63ATOM 740 CZ TYR 203 55.309 40.546 −13.091 1.00 37.44 ATOM 741 OH TYR 20355.280 41.022 −14.372 1.00 40.73 ATOM 742 N VAL 204 54.002 41.216 −7.5181.00 32.56 ATOM 743 CA VAL 204 52.952 42.234 −7.520 1.00 32.86 ATOM 744C VAL 204 53.349 43.472 −6.664 1.00 32.32 ATOM 745 O VAL 204 53.16244.628 −7.075 1.00 32.22 ATOM 746 CB VAL 204 51.675 41.454 −7.117 1.0033.17 ATOM 747 CG1 VAL 204 50.933 41.971 −5.882 1.00 33.70 ATOM 748 CG2VAL 204 50.855 40.953 −8.375 1.00 31.96 ATOM 749 N THR 205 53.936 43.214−5.498 1.00 32.24 ATOM 750 CA THR 205 54.428 44.259 −4.608 1.00 31.51ATOM 751 C THR 205 55.481 45.129 −5.321 1.00 31.55 ATOM 752 O THR 20555.359 46.388 −5.363 1.00 30.90 ATOM 753 CB THR 205 54.970 43.608 −3.2951.00 31.73 ATOM 754 OG1 THR 205 53.875 42.946 −2.591 1.00 30.86 ATOM 755CG2 THR 205 55.646 44.659 −2.411 1.00 31.29 ATOM 756 N GLU 206 56.49144.454 −5.892 1.00 31.37 ATOM 757 CA GLU 206 57.593 45.095 −6.652 1.0032.61 ATOM 758 C GLU 206 57.142 45.761 −7.949 1.00 32.07 ATOM 759 O GLU206 57.573 46.855 −8.226 1.00 31.97 ATOM 760 CB GLU 206 58.753 44.123−6.930 1.00 32.31 ATOM 761 CG GLU 206 59.419 43.619 −5.654 1.00 33.50ATOM 762 CD GLU 206 60.435 42.484 −5.897 1.00 34.50 ATOM 763 OE1 GLU 20660.604 42.040 −7.066 1.00 38.19 ATOM 764 OE2 GLU 206 61.035 42.032−4.917 1.00 31.10 ATOM 765 N LYS 207 56.281 45.110 −8.721 1.00 31.90ATOM 766 CA LYS 207 55.750 45.712 −9.952 1.00 32.07 ATOM 767 C LYS 20755.029 47.049 −9.645 1.00 32.17 ATOM 768 O LYS 207 55.321 48.081 −10.2531.00 32.06 ATOM 769 CB LYS 207 54.804 44.732 −10.670 1.00 32.80 ATOM 770CG LYS 207 54.356 45.155 −12.090 1.00 36.71 ATOM 771 CD LYS 207 55.57745.529 −12.935 1.00 43.40 ATOM 772 CE LYS 207 55.461 45.108 −14.453 1.0046.89 ATOM 773 NZ LYS 207 56.763 45.323 −15.135 1.00 47.00 ATOM 774 NALA 208 54.094 47.030 −8.690 1.00 30.86 ATOM 775 CA ALA 208 53.37648.257 −8.340 1.00 30.32 ATOM 776 C ALA 208 54.366 49.365 −7.984 1.0030.56 ATOM 777 O ALA 208 54.272 50.500 −8.483 1.00 29.36 ATOM 778 CB ALA208 52.364 48.005 −7.163 1.00 28.98 ATOM 779 N TYR 209 55.321 49.017−7.116 1.00 31.34 ATOM 780 CA TYR 209 56.333 49.945 −6.618 1.00 32.07ATOM 781 C TYR 209 57.240 50.482 −7.739 1.00 32.83 ATOM 782 O TYR 20957.700 51.637 −7.691 1.00 32.54 ATOM 783 CB TYR 209 57.154 49.253 −5.5541.00 32.73 ATOM 784 CG TYR 209 58.158 50.135 −4.853 1.00 33.75 ATOM 785CD1 TYR 209 57.787 50.864 −3.703 1.00 34.84 ATOM 786 CD2 TYR 209 59.48350.223 −5.299 1.00 33.51 ATOM 787 CE1 TYR 209 58.718 51.662 −3.031 1.0034.86 ATOM 788 CE2 TYR 209 60.438 51.049 −4.623 1.00 34.90 ATOM 789 CZTYR 209 60.032 51.759 −3.486 1.00 33.05 ATOM 790 OH TYR 209 60.93252.575 −2.791 1.00 35.66 ATOM 791 N GLU 210 57.463 49.666 −8.762 1.0034.05 ATOM 792 CA GLU 210 58.206 50.124 −9.956 1.00 34.62 ATOM 793 C GLU210 57.331 50.963 −10.902 1.00 35.41 ATOM 794 O GLU 210 57.848 51.629−11.824 1.00 34.97 ATOM 795 CB GLU 210 58.758 48.924 −10.696 1.00 35.86ATOM 796 CG GLU 210 59.770 48.085 −9.883 1.00 36.13 ATOM 797 CD GLU 21059.917 46.646 −10.388 1.00 38.52 ATOM 798 OE1 GLU 210 59.209 46.222−11.326 1.00 38.33 ATOM 799 OE2 GLU 210 60.761 45.923 −9.805 1.00 40.89ATOM 800 N ASN 211 56.010 50.925 −10.701 1.00 34.65 ATOM 801 CA ASN 21155.071 51.615 −11.625 1.00 35.17 ATOM 802 C ASN 211 54.033 52.471−10.929 1.00 33.23 ATOM 803 O ASN 211 52.844 52.319 −11.179 1.00 34.24ATOM 804 CB ASN 211 54.387 50.656 −12.597 1.00 35.24 ATOM 805 CG ASN 21155.388 49.871 −13.414 1.00 38.14 ATOM 806 OD1 ASN 211 55.927 48.833−12.954 1.00 41.46 ATOM 807 ND2 ASN 211 55.681 50.367 −14.617 1.00 36.20ATOM 808 N PRO 212 54.503 53.427 −10.110 1.00 32.10 ATOM 809 CA PRO 21253.583 54.274 −9.385 1.00 31.76 ATOM 810 C PRO 212 52.823 55.163 −10.3561.00 31.38 ATOM 811 O PRO 212 53.380 55.633 −11.353 1.00 30.16 ATOM 812CB PRO 212 54.490 55.103 −8.486 1.00 30.78 ATOM 813 CG PRO 212 55.84555.134 −9.224 1.00 31.04 ATOM 814 CD PRO 212 55.922 53.801 −9.893 1.0031.09 ATOM 815 N LYS 213 51.562 55.406 −10.036 1.00 30.99 ATOM 816 CALYS 213 50.761 56.346 −10.818 1.00 31.42 ATOM 817 C LYS 213 49.76657.072 −9.955 1.00 31.15 ATOM 818 O LYS 213 49.074 56.467 −9.116 1.0031.01 ATOM 819 CB LYS 213 49.986 55.603 −11.911 1.00 30.59 ATOM 820 CGLYS 213 50.911 55.017 −12.959 1.00 29.40 ATOM 821 CD LYS 213 50.17754.712 −14.282 1.00 27.87 ATOM 822 CE LYS 213 51.127 54.020 −15.275 1.0029.06 ATOM 823 NZ LYS 213 50.269 53.473 −16.416 1.00 29.60 ATOM 824 NPHE 214 49.736 58.380 −10.165 1.00 31.08 ATOM 825 CA PHE 214 48.63159.232 −9.699 1.00 31.02 ATOM 826 C PHE 214 47.336 58.851 −10.398 1.0029.28 ATOM 827 O PHE 214 47.336 58.200 −11.486 1.00 28.86 ATOM 828 CBPHE 214 48.962 60.715 −10.011 1.00 31.33 ATOM 829 CG PHE 214 50.11061.273 −9.193 1.00 33.17 ATOM 830 CD1 PHE 214 50.029 61.331 −7.785 1.0034.17 ATOM 831 CD2 PHE 214 51.254 61.777 −9.826 1.00 31.80 ATOM 832 CE1PHE 214 51.118 61.848 −7.014 1.00 36.33 ATOM 833 CE2 PHE 214 52.32362.291 −9.087 1.00 32.91 ATOM 834 CZ PHE 214 52.258 62.343 −7.665 1.0033.95 ATOM 835 N VAL 215 46.226 59.269 −9.796 1.00 27.85 ATOM 836 CA VAL215 44.911 59.108 −10.377 1.00 28.62 ATOM 837 C VAL 215 44.878 59.813−11.762 1.00 28.57 ATOM 838 O VAL 215 44.295 59.280 −12.682 1.00 27.90ATOM 839 CB VAL 215 43.749 59.519 −9.352 1.00 28.94 ATOM 840 CG1 VAL 21543.721 61.018 −9.060 1.00 29.40 ATOM 841 CG2 VAL 215 42.428 59.073−9.813 1.00 29.76 ATOM 842 N GLU 216 45.546 60.970 −11.872 1.00 28.34ATOM 843 CA GLU 216 45.735 61.768 −13.131 1.00 29.82 ATOM 844 C GLU 21646.364 60.930 −14.235 1.00 28.79 ATOM 845 O GLU 216 45.822 60.801−15.311 1.00 28.87 ATOM 846 CB GLU 216 46.608 63.020 −12.835 1.00 28.86ATOM 847 CG GLU 216 45.872 64.035 −11.934 1.00 32.94 ATOM 848 CD GLU 21646.306 63.994 −10.455 1.00 34.70 ATOM 849 OE1 GLU 216 46.537 62.903−9.914 1.00 35.44 ATOM 850 OE2 GLU 216 46.400 65.073 −9.820 1.00 37.76ATOM 851 N ASP 217 47.483 60.303 −13.892 1.00 29.08 ATOM 852 CA ASP 21748.235 59.389 −14.751 1.00 28.86 ATOM 853 C ASP 217 47.386 58.235−15.203 1.00 28.38 ATOM 854 O ASP 217 47.338 57.916 −16.408 1.00 27.02ATOM 855 CB ASP 217 49.437 58.850 −14.000 1.00 29.76 ATOM 856 CG ASP 21750.398 59.919 −13.603 1.00 31.99 ATOM 857 OD1 ASP 217 50.489 60.928−14.298 1.00 38.26 ATOM 858 OD2 ASP 217 51.084 59.766 −12.591 1.00 34.15ATOM 859 N MET 218 46.696 57.589 −14.261 1.00 28.36 ATOM 860 CA MET 21845.812 56.492 −14.647 1.00 29.64 ATOM 861 C MET 218 44.706 56.862−15.656 1.00 28.41 ATOM 862 O MET 218 44.492 56.145 −16.636 1.00 26.63ATOM 863 CB MET 218 45.176 55.791 −13.422 1.00 30.96 ATOM 864 CG MET 21844.319 54.575 −13.861 1.00 35.70 ATOM 865 SD MET 218 45.273 53.140−14.514 1.00 45.47 ATOM 866 CE MET 218 46.456 53.050 −13.190 1.00 46.95ATOM 867 N VAL 219 43.962 57.941 −15.405 1.00 28.22 ATOM 868 CA VAL 21942.869 58.262 −16.337 1.00 28.10 ATOM 869 C VAL 219 43.427 58.690−17.690 1.00 27.11 ATOM 870 O VAL 219 42.857 58.342 −18.725 1.00 27.29ATOM 871 CB VAL 219 41.773 59.259 −15.749 1.00 28.69 ATOM 872 CG1 VAL219 41.164 58.645 −14.457 1.00 29.54 ATOM 873 CG2 VAL 219 42.347 60.643−15.445 1.00 27.60 ATOM 874 N ARG 220 44.529 59.424 −17.692 1.00 27.25ATOM 875 CA ARG 220 45.171 59.840 −18.986 1.00 29.06 ATOM 876 C ARG 22045.667 58.643 −19.743 1.00 28.85 ATOM 877 O ARG 220 45.464 58.585−20.955 1.00 30.55 ATOM 878 CB ARG 220 46.331 60.821 −18.797 1.00 27.73ATOM 879 CG ARG 220 45.901 62.272 −18.483 1.00 29.78 ATOM 880 CD ARG 22047.100 63.094 −17.937 1.00 29.72 ATOM 881 NE ARG 220 46.730 64.494−18.068 1.00 33.92 ATOM 882 CZ ARG 220 47.200 65.477 −17.324 1.00 32.61ATOM 883 NH1 ARG 220 48.094 65.214 −16.410 1.00 33.13 ATOM 884 NH2 ARG220 46.761 66.725 −17.514 1.00 34.32 ATOM 885 N ASP 221 46.313 57.712−19.036 1.00 28.07 ATOM 886 CA ASP 221 46.889 56.471 −19.662 1.00 28.23ATOM 887 C ASP 221 45.801 55.599 −20.281 1.00 27.79 ATOM 888 O ASP 22145.901 55.153 −21.453 1.00 28.28 ATOM 889 CB ASP 221 47.746 55.697−18.645 1.00 27.76 ATOM 890 CG ASP 221 49.112 56.318 −18.449 1.00 29.80ATOM 891 OD1 ASP 221 49.405 57.309 −19.147 1.00 30.61 ATOM 892 OD2 ASP221 49.902 55.850 −17.583 1.00 32.40 ATOM 893 N VAL 222 44.730 55.358−19.532 1.00 25.93 ATOM 894 CA VAL 222 43.588 54.659 −20.109 1.00 25.63ATOM 895 C VAL 222 42.893 55.417 −21.279 1.00 26.39 ATOM 896 O VAL 22242.539 54.788 −22.285 1.00 26.70 ATOM 897 CB VAL 222 42.517 54.272−19.058 1.00 24.90 ATOM 898 CG1 VAL 222 41.313 53.621 −19.773 1.00 25.51ATOM 899 CG2 VAL 222 43.098 53.309 −18.028 1.00 24.07 ATOM 900 N ALA 22342.664 56.732 −21.126 1.00 25.77 ATOM 901 CA ALA 223 41.954 57.535−22.148 1.00 26.96 ATOM 902 C ALA 223 42.728 57.519 −23.503 1.00 27.41ATOM 903 O ALA 223 42.141 57.449 −24.555 1.00 27.99 ATOM 904 CB ALA 22341.761 58.976 −21.674 1.00 24.19 ATOM 905 N THR 224 44.042 57.579−23.440 1.00 29.50 ATOM 906 CA THR 224 44.885 57.497 −24.635 1.00 30.83ATOM 907 C THR 224 44.640 56.163 −25.358 1.00 31.18 ATOM 908 O THR 22444.426 56.153 −26.568 1.00 31.47 ATOM 909 CB THR 224 46.353 57.671−24.266 1.00 31.10 ATOM 910 OG1 THR 224 46.515 58.940 −23.611 1.00 32.84ATOM 911 CG2 THR 224 47.176 57.728 −25.503 1.00 32.78 ATOM 912 N SER 22544.589 55.061 −24.612 1.00 31.19 ATOM 913 CA SER 225 44.306 53.722−25.208 1.00 32.14 ATOM 914 C SER 225 42.957 53.650 −25.930 1.00 31.64ATOM 915 O SER 225 42.830 53.046 −26.990 1.00 32.34 ATOM 916 CB SER 22544.323 52.656 −24.141 1.00 32.10 ATOM 917 OG SER 225 45.639 52.349−23.727 1.00 33.71 ATOM 918 N LEU 226 41.937 54.263 −25.346 1.00 31.46ATOM 919 CA LEU 226 40.571 54.266 −25.908 1.00 31.10 ATOM 920 C LEU 22640.437 55.192 −27.121 1.00 31.71 ATOM 921 O LEU 226 39.721 54.868−28.084 1.00 31.22 ATOM 922 CB LEU 226 39.570 54.742 −24.815 1.00 30.41ATOM 923 CG LEU 226 39.527 53.888 −23.517 1.00 28.65 ATOM 924 CD1 LEU226 38.528 54.473 −22.550 1.00 26.39 ATOM 925 CD2 LEU 226 39.099 52.494−23.861 1.00 26.47 ATOM 926 N ILE 227 41.083 56.357 −27.053 1.00 32.52ATOM 927 CA ILE 227 41.131 57.262 −28.223 1.00 34.66 ATOM 928 C ILE 22741.711 56.576 −29.449 1.00 34.68 ATOM 929 O ILE 227 41.198 56.725−30.533 1.00 36.02 ATOM 930 CB ILE 227 41.928 58.555 −27.959 1.00 35.04ATOM 931 CG1 ILE 227 41.168 59.408 −26.956 1.00 34.54 ATOM 932 CG2 ILE227 42.124 59.326 −29.307 1.00 35.53 ATOM 933 CD1 ILE 227 42.062 60.418−26.261 1.00 35.14 ATOM 934 N ALA 228 42.764 55.808 −29.247 1.00 35.83ATOM 935 CA ALA 228 43.345 54.957 −30.266 1.00 36.33 ATOM 936 C ALA 22842.442 53.813 −30.810 1.00 36.87 ATOM 937 O ALA 228 42.849 53.109−31.733 1.00 36.87 ATOM 938 CB ALA 228 44.625 54.367 −29.715 1.00 35.72ATOM 939 N ASP 229 41.284 53.556 −30.200 1.00 36.77 ATOM 940 CA ASP 22940.461 52.454 −30.644 1.00 37.00 ATOM 941 C ASP 229 39.408 53.150−31.459 1.00 38.22 ATOM 942 O ASP 229 38.582 53.892 −30.903 1.00 37.95ATOM 943 CB ASP 229 39.842 51.696 −29.446 1.00 36.82 ATOM 944 CG ASP 22939.075 50.427 −29.856 1.00 35.61 ATOM 945 OD1 ASP 229 38.303 50.430−30.845 1.00 32.28 ATOM 946 OD2 ASP 229 39.234 49.400 −29.166 1.00 36.47ATOM 947 N LYS 230 39.439 52.952 −32.785 1.00 39.74 ATOM 948 CA LYS 23038.611 53.794 −33.663 1.00 40.81 ATOM 949 C LYS 230 37.141 53.311−33.702 1.00 40.52 ATOM 950 O LYS 230 36.284 54.023 −34.227 1.00 41.73ATOM 951 CB LYS 230 39.210 53.987 −35.107 1.00 41.71 ATOM 952 CG LYS 23040.744 54.405 −35.297 1.00 43.63 ATOM 953 CD LYS 230 41.364 55.367−34.210 1.00 44.04 ATOM 954 CE LYS 230 42.910 55.731 −34.504 1.00 40.84ATOM 955 NZ LYS 230 44.069 54.838 −33.927 1.00 29.08 ATOM 956 N GLU 24038.629 56.109 −9.090 1.00 26.04 ATOM 957 CA GLU 240 38.563 56.440 −7.6771.00 25.79 ATOM 958 C GLU 240 39.604 55.580 −6.918 1.00 26.33 ATOM 959 OGLU 240 39.581 54.323 −7.008 1.00 26.15 ATOM 960 CB GLU 240 37.13356.189 −7.133 1.00 25.72 ATOM 961 CG GLU 240 36.967 56.616 −5.663 1.0025.21 ATOM 962 CD GLU 240 35.532 56.595 −5.146 1.00 26.43 ATOM 963 OE1GLU 240 34.604 56.243 −5.902 1.00 27.62 ATOM 964 OE2 GLU 240 35.32256.973 −3.967 1.00 26.61 ATOM 965 N ASN 241 40.534 56.239 −6.207 1.0026.14 ATOM 966 CA ASN 241 41.553 55.525 −5.458 1.00 25.32 ATOM 967 C ASN241 41.235 55.691 −3.974 1.00 25.25 ATOM 968 O ASN 241 41.123 56.826−3.494 1.00 23.38 ATOM 969 CB ASN 241 42.918 56.080 −5.756 1.00 26.66ATOM 970 CG ASN 241 43.291 55.967 −7.253 1.00 29.90 ATOM 971 OD1 ASN 24144.408 56.313 −7.640 1.00 36.12 ATOM 972 ND2 ASN 241 42.386 55.453−8.072 1.00 27.28 ATOM 973 N PHE 242 41.063 54.564 −3.277 1.00 23.13ATOM 974 CA PHE 242 40.624 54.548 −1.896 1.00 24.91 ATOM 975 C PHE 24241.842 54.769 −1.023 1.00 25.54 ATOM 976 O PHE 242 42.315 53.851 −0.3881.00 25.14 ATOM 977 CB PHE 242 39.830 53.259 −1.586 1.00 24.91 ATOM 978CG PHE 242 38.557 53.179 −2.379 1.00 25.60 ATOM 979 CD1 PHE 242 37.41053.824 −1.922 1.00 26.78 ATOM 980 CD2 PHE 242 38.544 52.570 −3.650 1.0025.71 ATOM 981 CE1 PHE 242 36.201 53.800 −2.691 1.00 29.47 ATOM 982 CE2PHE 242 37.364 52.585 −4.469 1.00 24.56 ATOM 983 CZ PHE 242 36.19353.174 −3.984 1.00 26.86 ATOM 984 N GLU 243 42.356 56.005 −1.066 1.0025.28 ATOM 985 CA GLU 243 43.638 56.383 −0.503 1.00 27.20 ATOM 986 C GLU243 43.891 55.714 0.844 1.00 26.88 ATOM 987 O GLU 243 43.133 55.9391.776 1.00 27.26 ATOM 988 CB GLU 243 43.754 57.907 −0.342 1.00 28.44ATOM 989 CG GLU 243 43.600 58.669 −1.660 1.00 30.04 ATOM 990 CD GLU 24344.744 58.326 −2.585 1.00 32.00 ATOM 991 OE1 GLU 243 44.617 57.383−3.389 1.00 30.26 ATOM 992 OE2 GLU 243 45.815 58.944 −2.446 1.00 35.21ATOM 993 N SER 244 44.962 54.926 0.945 1.00 27.02 ATOM 994 CA SER 24445.160 54.124 2.185 1.00 27.90 ATOM 995 C SER 244 45.582 54.978 3.3631.00 28.54 ATOM 996 O SER 244 45.551 54.508 4.525 1.00 29.90 ATOM 997 CBSER 244 46.139 52.988 1.959 1.00 26.85 ATOM 998 OG SER 244 47.413 53.5241.761 1.00 25.99 ATOM 999 N ILE 245 45.936 56.242 3.097 1.00 28.99 ATOM1000 CA ILE 245 46.325 57.173 4.192 1.00 28.75 ATOM 1001 C ILE 24545.263 58.213 4.615 1.00 28.22 ATOM 1002 O ILE 245 45.454 58.973 5.5891.00 28.72 ATOM 1003 CB ILE 245 47.619 57.930 3.832 1.00 28.52 ATOM 1004CG1 ILE 245 47.395 58.849 2.619 1.00 27.33 ATOM 1005 CG2 ILE 245 48.79556.924 3.645 1.00 26.82 ATOM 1006 CD1 ILE 245 48.584 59.899 2.445 1.0028.82 ATOM 1007 N HIS 246 44.184 58.275 3.849 1.00 27.14 ATOM 1008 CAHIS 246 43.062 59.140 4.132 1.00 26.06 ATOM 1009 C HIS 246 41.827 58.3114.349 1.00 26.53 ATOM 1010 O HIS 246 41.870 57.070 4.164 1.00 25.05 ATOM1011 CB HIS 246 42.806 60.041 2.962 1.00 26.37 ATOM 1012 CG HIS 24643.931 60.957 2.686 1.00 27.22 ATOM 1013 ND1 HIS 246 44.492 61.076 1.4321.00 29.18 ATOM 1014 CD2 HIS 246 44.608 61.803 3.496 1.00 26.14 ATOM1015 CE1 HIS 246 45.470 61.961 1.482 1.00 27.29 ATOM 1016 NE2 HIS 24645.572 62.409 2.722 1.00 28.61 ATOM 1017 N ASN 247 40.747 58.982 4.8001.00 25.55 ATOM 1018 CA ASN 247 39.419 58.329 4.806 1.00 25.30 ATOM 1019C ASN 247 38.497 58.880 3.718 1.00 25.63 ATOM 1020 O ASN 247 37.26258.817 3.835 1.00 24.99 ATOM 1021 CB ASN 247 38.719 58.368 6.211 1.0024.56 ATOM 1022 CG ASN 247 37.661 57.281 6.348 1.00 25.15 ATOM 1023 OD1ASN 247 37.853 56.171 5.856 1.00 27.25 ATOM 1024 ND2 ASN 247 36.53157.594 6.973 1.00 25.75 ATOM 1025 N SER 249 38.626 59.597 −0.930 1.0024.78 ATOM 1026 CA SER 249 39.213 59.045 −2.180 1.00 24.32 ATOM 1027 CSER 249 39.808 60.130 −3.013 1.00 24.05 ATOM 1028 O SER 249 39.31061.225 −2.945 1.00 25.10 ATOM 1029 CB SER 249 38.100 58.361 −2.967 1.0023.81 ATOM 1030 OG SER 249 37.687 57.149 −2.322 1.00 24.81 ATOM 1031 NALA 250 40.875 59.846 −3.763 1.00 24.15 ATOM 1032 CA ALA 250 41.29960.666 −4.900 1.00 24.78 ATOM 1033 C ALA 250 40.460 60.222 −6.086 1.0025.30 ATOM 1034 O ALA 250 40.141 59.036 −6.212 1.00 25.56 ATOM 1035 CBALA 250 42.799 60.442 −5.181 1.00 25.32 ATOM 1036 N TYR 251 40.09561.159 −6.971 1.00 24.61 ATOM 1037 CA TYR 251 39.171 60.879 −8.041 1.0024.59 ATOM 1038 C TYR 251 39.481 61.721 −9.294 1.00 25.35 ATOM 1039 OTYR 251 39.807 62.903 −9.169 1.00 25.44 ATOM 1040 CB TYR 251 37.73961.192 −7.534 1.00 25.31 ATOM 1041 CG TYR 251 36.650 61.072 −8.575 1.0024.55 ATOM 1042 CD1 TYR 251 36.232 59.831 −9.035 1.00 23.76 ATOM 1043CD2 TYR 251 36.033 62.228 −9.120 1.00 27.05 ATOM 1044 CE1 TYR 251 35.21859.714 −10.015 1.00 23.94 ATOM 1045 CE2 TYR 251 35.009 62.121 −10.1131.00 26.38 ATOM 1046 CZ TYR 251 34.626 60.872 −10.547 1.00 25.70 ATOM1047 OH TYR 251 33.644 60.763 −11.508 1.00 30.46 ATOM 1048 MN MN2 25850.065 59.976 −1.837 1.00 31.39 ATOM 1049 N1 AZI 261 48.108 61.800−2.111 0.50 29.51 ATOM 1050 N2 AZI 261 47.484 62.346 −1.282 0.50 23.78ATOM 1051 N3 AZI 261 47.000 62.868 −0.349 0.50 33.34 ATOM 1052 N ARG 1451.699 37.265 25.990 1.00 59.94 ATOM 1053 CA ARG 14 50.569 36.319 25.8391.00 60.10 ATOM 1054 C ARG 14 49.765 36.676 24.590 1.00 59.52 ATOM 1055O ARG 14 49.543 37.868 24.283 1.00 59.50 ATOM 1056 CB ARG 14 49.72736.251 27.117 1.00 60.86 ATOM 1057 CG ARG 14 50.102 35.088 28.041 1.0062.47 ATOM 1058 CD ARG 14 51.596 34.762 28.056 1.00 66.68 ATOM 1059 NEARG 14 52.030 33.730 27.094 1.00 66.83 ATOM 1060 CZ ARG 14 52.974 33.88926.153 1.00 74.89 ATOM 1061 NH1 ARG 14 53.616 35.062 25.985 1.00 70.24ATOM 1062 NH2 ARG 14 53.281 32.861 25.359 1.00 70.54 ATOM 1063 N ASN 1549.332 35.620 23.892 1.00 58.31 ATOM 1064 CA ASN 15 49.230 35.630 22.4251.00 56.79 ATOM 1065 C ASN 15 47.825 35.751 21.839 1.00 54.53 ATOM 1066O ASN 15 47.622 36.477 20.862 1.00 55.84 ATOM 1067 CB ASN 15 49.94634.399 21.842 1.00 57.64 ATOM 1068 CG ASN 15 51.363 34.700 21.380 1.0058.56 ATOM 1069 OD1 ASN 15 51.644 35.764 20.812 1.00 59.64 ATOM 1070 ND2ASN 15 52.266 33.739 21.597 1.00 59.50 ATOM 1071 N LEU 16 46.876 35.04622.445 1.00 50.71 ATOM 1072 CA LEU 16 45.451 35.154 22.128 1.00 45.72ATOM 1073 C LEU 16 45.008 34.361 20.897 1.00 42.62 ATOM 1074 O LEU 1645.480 34.571 19.781 1.00 41.21 ATOM 1075 CB LEU 16 44.990 36.597 22.0661.00 46.03 ATOM 1076 CG LEU 16 44.014 37.291 23.024 1.00 45.53 ATOM 1077CD1 LEU 16 44.094 36.865 24.479 1.00 46.94 ATOM 1078 CD2 LEU 16 44.28938.762 22.907 1.00 42.24 ATOM 1079 N PRO 17 44.091 33.421 21.118 1.0039.73 ATOM 1080 CA PRO 17 43.589 32.688 19.976 1.00 37.59 ATOM 1081 CPRO 17 42.594 33.628 19.285 1.00 35.06 ATOM 1082 O PRO 17 41.991 34.51219.928 1.00 34.66 ATOM 1083 CB PRO 17 42.862 31.506 20.612 1.00 37.49ATOM 1084 CG PRO 17 42.391 32.059 21.904 1.00 38.46 ATOM 1085 CD PRO 1743.431 33.025 22.375 1.00 39.21 ATOM 1086 N ILE 18 42.450 33.455 17.9881.00 32.48 ATOM 1087 CA ILE 18 41.485 34.246 17.234 1.00 29.75 ATOM 1088C ILE 18 40.315 33.372 16.866 1.00 28.71 ATOM 1089 O ILE 18 40.49232.282 16.313 1.00 29.46 ATOM 1090 CB ILE 18 42.172 34.915 16.010 1.0029.27 ATOM 1091 CG1 ILE 18 43.186 35.933 16.555 1.00 28.75 ATOM 1092 CG2ILE 18 41.139 35.601 15.144 1.00 26.93 ATOM 1093 CD1 ILE 18 44.18836.399 15.568 1.00 29.65 ATOM 1094 N ASN 19 39.124 33.832 17.218 1.0027.84 ATOM 1095 CA ASN 19 37.917 33.088 17.011 1.00 28.72 ATOM 1096 CASN 19 37.791 32.671 15.535 1.00 29.30 ATOM 1097 O ASN 19 37.556 31.51915.230 1.00 29.67 ATOM 1098 CB ASN 19 36.692 33.897 17.443 1.00 27.56ATOM 1099 CG ASN 19 36.566 34.037 18.934 1.00 30.11 ATOM 1100 OD1 ASN 1935.628 33.510 19.537 1.00 35.03 ATOM 1101 ND2 ASN 19 37.457 34.80319.541 1.00 26.59 ATOM 1102 N GLN 20 37.946 33.633 14.625 1.00 28.21ATOM 1103 CA GLN 20 37.823 33.346 13.200 1.00 27.61 ATOM 1104 C GLN 2038.739 34.277 12.456 1.00 26.93 ATOM 1105 O GLN 20 38.727 35.468 12.7041.00 25.53 ATOM 1106 CB GLN 20 36.387 33.587 12.738 1.00 27.40 ATOM 1107CG GLN 20 35.289 32.662 13.323 1.00 28.89 ATOM 1108 CD GLN 20 35.39231.156 12.907 1.00 29.01 ATOM 1109 OE1 GLN 20 36.015 30.793 11.917 1.0024.93 ATOM 1110 NE2 GLN 20 34.725 30.299 13.677 1.00 33.39 ATOM 1111 NVAL 21 39.523 33.726 11.534 1.00 28.44 ATOM 1112 CA VAL 21 40.353 34.52110.641 1.00 28.39 ATOM 1113 C VAL 21 40.302 33.901 9.231 1.00 28.96 ATOM1114 O VAL 21 40.332 32.653 9.084 1.00 28.04 ATOM 1115 CB VAL 21 41.81334.603 11.139 1.00 29.27 ATOM 1116 CG1 VAL 21 42.432 33.163 11.302 1.0030.86 ATOM 1117 CG2 VAL 21 42.630 35.412 10.182 1.00 26.64 ATOM 1118 NGLY 22 40.265 34.772 8.214 1.00 25.74 ATOM 1119 CA GLY 22 40.312 34.3156.847 1.00 25.43 ATOM 1120 C GLY 22 39.912 35.415 5.893 1.00 25.13 ATOM1121 O GLY 22 40.462 36.563 5.962 1.00 24.40 ATOM 1122 N ILE 23 39.00635.087 4.967 1.00 24.91 ATOM 1123 CA ILE 23 38.654 36.061 3.894 1.0024.29 ATOM 1124 C ILE 23 37.205 36.429 3.946 1.00 24.19 ATOM 1125 O ILE23 36.368 35.647 4.382 1.00 22.43 ATOM 1126 CB ILE 23 39.055 35.6172.460 1.00 24.57 ATOM 1127 CG1 ILE 23 38.314 34.325 2.043 1.00 25.55ATOM 1128 CG2 ILE 23 40.562 35.500 2.383 1.00 27.03 ATOM 1129 CD1 ILE 2338.356 33.909 0.539 1.00 26.06 ATOM 1130 N THR 48 36.553 31.379 7.0541.00 25.33 ATOM 1131 CA THR 48 37.449 31.661 8.177 1.00 26.30 ATOM 1132C THR 48 37.736 30.379 8.969 1.00 27.67 ATOM 1133 O THR 48 36.880 29.4438.981 1.00 27.40 ATOM 1134 CB THR 48 36.811 32.640 9.156 1.00 25.92 ATOM1135 OG1 THR 48 35.570 32.127 9.604 1.00 27.43 ATOM 1136 CG2 THR 4836.580 34.048 8.541 1.00 25.73 ATOM 1137 N VAL 49 38.895 30.322 9.6481.00 28.21 ATOM 1138 CA VAL 49 39.164 29.202 10.595 1.00 27.79 ATOM 1139C VAL 49 39.600 29.805 11.956 1.00 29.96 ATOM 1140 O VAL 49 39.93130.991 12.055 1.00 29.84 ATOM 1141 CB VAL 49 40.301 28.306 10.065 1.0027.06 ATOM 1142 CG1 VAL 49 39.910 27.547 8.745 1.00 24.24 ATOM 1143 CG2VAL 49 41.593 29.120 9.884 1.00 26.20 ATOM 1144 N TYR 50 39.658 28.96912.980 1.00 30.77 ATOM 1145 CA TYR 50 40.097 29.355 14.333 1.00 31.30ATOM 1146 C TYR 50 41.584 29.365 14.291 1.00 31.89 ATOM 1147 O TYR 5042.174 28.503 13.663 1.00 31.71 ATOM 1148 CB TYR 50 39.619 28.292 15.3011.00 32.58 ATOM 1149 CG TYR 50 40.188 28.329 16.695 1.00 33.26 ATOM 1150CD1 TYR 50 39.629 29.138 17.651 1.00 32.16 ATOM 1151 CD2 TYR 50 41.23527.478 17.067 1.00 34.15 ATOM 1152 CE1 TYR 50 40.135 29.166 18.975 1.0035.06 ATOM 1153 CE2 TYR 50 41.748 27.488 18.387 1.00 34.47 ATOM 1154 CZTYR 50 41.182 28.336 19.318 1.00 34.05 ATOM 1155 OH TYR 50 41.636 28.36220.629 1.00 36.34 ATOM 1156 N LEU 51 42.199 30.356 14.925 1.00 32.43ATOM 1157 CA LEU 51 43.649 30.425 15.047 1.00 33.24 ATOM 1158 C LEU 5144.061 30.272 16.526 1.00 33.57 ATOM 1159 O LEU 51 43.695 31.115 17.3301.00 31.07 ATOM 1160 CB LEU 51 44.161 31.778 14.528 1.00 32.42 ATOM 1161CG LEU 51 45.656 31.778 14.277 1.00 33.30 ATOM 1162 CD1 LEU 51 46.00130.774 13.207 1.00 32.77 ATOM 1163 CD2 LEU 51 46.156 33.169 13.840 1.0033.73 ATOM 1164 N PRO 52 44.803 29.180 16.884 1.00 35.48 ATOM 1165 CAPRO 52 45.196 29.027 18.303 1.00 36.24 ATOM 1166 C PRO 52 46.242 30.07918.713 1.00 37.08 ATOM 1167 O PRO 52 46.981 30.616 17.867 1.00 35.03ATOM 1168 CB PRO 52 45.803 27.620 18.378 1.00 36.44 ATOM 1169 CG PRO 5246.191 27.268 16.968 1.00 37.84 ATOM 1170 CD PRO 52 45.255 28.059 16.0421.00 35.65 ATOM 1171 N ALA 53 46.312 30.352 20.008 1.00 39.26 ATOM 1172CA ALA 53 47.259 31.342 20.509 1.00 41.52 ATOM 1173 C ALA 53 48.63231.262 19.902 1.00 43.70 ATOM 1174 O ALA 53 49.213 32.300 19.542 1.0044.05 ATOM 1175 CB ALA 53 47.343 31.295 22.028 1.00 41.87 ATOM 1176 NGLU 54 49.176 30.051 19.770 1.00 46.18 ATOM 1177 CA GLU 54 50.595 29.94719.416 1.00 48.84 ATOM 1178 C GLU 54 50.950 30.189 17.960 1.00 48.48ATOM 1179 O GLU 54 52.143 30.310 17.626 1.00 48.68 ATOM 1180 CB GLU 5451.290 28.679 19.988 1.00 49.42 ATOM 1181 CG GLU 54 50.930 27.304 19.3761.00 51.16 ATOM 1182 CD GLU 54 51.905 26.157 19.853 1.00 52.55 ATOM 1183OE1 GLU 54 51.600 24.953 19.611 1.00 55.01 ATOM 1184 OE2 GLU 54 52.98426.456 20.462 1.00 56.97 ATOM 1185 N GLN 55 49.943 30.264 17.098 1.0047.97 ATOM 1186 CA GLN 55 50.192 30.396 15.657 1.00 48.24 ATOM 1187 CGLN 55 50.070 31.860 15.229 1.00 47.26 ATOM 1188 O GLN 55 49.114 32.53315.588 1.00 46.59 ATOM 1189 CB GLN 55 49.222 29.500 14.877 1.00 48.23ATOM 1190 CG GLN 55 49.460 29.483 13.359 1.00 49.79 ATOM 1191 CD GLN 5548.669 28.396 12.661 1.00 49.97 ATOM 1192 OE1 GLN 55 48.367 27.37513.266 1.00 53.57 ATOM 1193 NE2 GLN 55 48.337 28.601 11.382 1.00 50.86ATOM 1194 N LYS 56 51.043 32.352 14.471 1.00 47.46 ATOM 1195 CA LYS 5651.091 33.769 14.130 1.00 48.23 ATOM 1196 C LYS 56 49.978 34.132 13.1491.00 47.43 ATOM 1197 O LYS 56 49.311 35.150 13.323 1.00 47.38 ATOM 1198CB LYS 56 52.461 34.174 13.542 1.00 48.49 ATOM 1199 CG LYS 56 52.55935.701 13.239 1.00 50.23 ATOM 1200 CD LYS 56 53.838 36.104 12.483 1.0051.07 ATOM 1201 CE LYS 56 54.040 35.276 11.199 1.00 54.39 ATOM 1202 NZLYS 56 55.448 35.366 10.676 1.00 56.64 ATOM 1203 N GLY 57 49.801 33.30012.124 1.00 46.67 ATOM 1204 CA GLY 57 48.811 33.554 11.099 1.00 46.24ATOM 1205 C GLY 57 48.282 32.313 10.412 1.00 46.03 ATOM 1206 O GLY 5748.843 31.208 10.570 1.00 46.27 ATOM 1207 N THR 58 47.195 32.509 9.6541.00 45.17 ATOM 1208 CA THR 58 46.597 31.483 8.810 1.00 43.95 ATOM 1209C THR 58 47.170 31.556 7.387 1.00 43.93 ATOM 1210 O THR 58 48.149 32.2707.156 1.00 43.84 ATOM 1211 CB THR 58 45.031 31.554 8.784 1.00 43.76 ATOM1212 OG1 THR 58 44.529 30.341 8.239 1.00 42.58 ATOM 1213 CG2 THR 5844.481 32.757 7.957 1.00 41.26 ATOM 1214 N HIS 59 46.542 30.830 6.4561.00 42.61 ATOM 1215 CA HIS 59 47.038 30.691 5.097 1.00 42.55 ATOM 1216C HIS 59 46.006 31.176 4.075 1.00 41.58 ATOM 1217 O HIS 59 45.185 30.4023.565 1.00 40.93 ATOM 1218 CB HIS 59 47.431 29.246 4.868 1.00 43.03 ATOM1219 CG HIS 59 48.369 28.732 5.915 1.00 46.13 ATOM 1220 ND1 HIS 5947.926 28.125 7.076 1.00 48.89 ATOM 1221 CD2 HIS 59 49.716 28.810 6.0191.00 48.32 ATOM 1222 CE1 HIS 59 48.966 27.827 7.840 1.00 48.82 ATOM 1223NE2 HIS 59 50.063 28.233 7.222 1.00 50.35 ATOM 1224 N MET 60 46.05432.471 3.790 1.00 40.23 ATOM 1225 CA MET 60 44.936 33.167 3.145 1.0038.85 ATOM 1226 C MET 60 44.631 32.729 1.718 1.00 37.25 ATOM 1227 O MET60 43.465 32.717 1.303 1.00 37.16 ATOM 1228 CB MET 60 45.147 34.6863.231 1.00 40.07 ATOM 1229 CG MET 60 45.182 35.218 4.688 1.00 40.71 ATOM1230 SD MET 60 43.511 35.600 5.252 1.00 45.21 ATOM 1231 CE MET 60 43.80136.421 6.813 1.00 42.50 ATOM 1232 N SER 61 45.652 32.353 0.956 1.0036.21 ATOM 1233 CA SER 61 45.423 31.968 −0.429 1.00 35.39 ATOM 1234 CSER 61 44.706 30.631 −0.540 1.00 35.50 ATOM 1235 O SER 61 44.116 30.325−1.581 1.00 35.82 ATOM 1236 CB SER 61 46.719 31.901 −1.204 1.00 36.22ATOM 1237 OG SER 61 47.456 30.721 −0.911 1.00 36.27 ATOM 1238 N ARG 6244.724 29.844 0.533 1.00 34.65 ATOM 1239 CA ARG 62 44.188 28.474 0.5071.00 34.67 ATOM 1240 C ARG 62 42.670 28.505 0.519 1.00 33.66 ATOM 1241 OARG 62 42.029 27.568 0.064 1.00 33.93 ATOM 1242 CB ARG 62 44.700 27.6551.718 1.00 35.39 ATOM 1243 CG ARG 62 46.213 27.392 1.757 1.00 35.71 ATOM1244 CD ARG 62 46.596 26.539 2.992 1.00 36.59 ATOM 1245 NE ARG 62 48.06026.429 3.152 1.00 40.81 ATOM 1246 CZ ARG 62 48.673 25.627 4.030 1.0042.85 ATOM 1247 NH1 ARG 62 47.947 24.852 4.833 1.00 42.89 ATOM 1248 NH2ARG 62 50.010 25.591 4.101 1.00 39.58 ATOM 1249 N PHE 63 42.080 29.5691.073 1.00 31.76 ATOM 1250 CA PHE 63 40.621 29.735 1.039 1.00 29.77 ATOM1251 C PHE 63 40.169 29.909 −0.413 1.00 29.97 ATOM 1252 O PHE 63 39.20529.299 −0.833 1.00 29.60 ATOM 1253 CB PHE 63 40.155 30.970 1.815 1.0029.04 ATOM 1254 CG PHE 63 40.440 30.918 3.280 1.00 24.94 ATOM 1255 CD1PHE 63 39.661 30.140 4.105 1.00 25.06 ATOM 1256 CD2 PHE 63 41.475 31.6623.828 1.00 25.62 ATOM 1257 CE1 PHE 63 39.904 30.068 5.464 1.00 25.26ATOM 1258 CE2 PHE 63 41.738 31.610 5.202 1.00 27.19 ATOM 1259 CZ PHE 6340.938 30.802 6.022 1.00 26.37 ATOM 1260 N VAL 64 40.880 30.729 −1.1781.00 29.57 ATOM 1261 CA VAL 64 40.513 30.944 −2.578 1.00 29.55 ATOM 1262C VAL 64 40.837 29.671 −3.361 1.00 30.87 ATOM 1263 O VAL 64 40.06529.310 −4.227 1.00 30.92 ATOM 1264 CB VAL 64 41.256 32.114 −3.207 1.0029.58 ATOM 1265 CG1 VAL 64 40.690 32.383 −4.582 1.00 30.02 ATOM 1266 CG2VAL 64 41.126 33.412 −2.311 1.00 27.42 ATOM 1267 N ALA 65 41.967 29.005−3.068 1.00 31.39 ATOM 1268 CA ALA 65 42.338 27.724 −3.733 1.00 32.56ATOM 1269 C ALA 65 41.193 26.703 −3.642 1.00 33.22 ATOM 1270 O ALA 6540.842 26.021 −4.620 1.00 33.73 ATOM 1271 CB ALA 65 43.688 27.119 −3.0971.00 32.21 ATOM 1272 N LEU 66 40.610 26.591 −2.448 1.00 33.30 ATOM 1273CA LEU 66 39.528 25.660 −2.226 1.00 32.82 ATOM 1274 C LEU 66 38.36425.915 −3.196 1.00 33.60 ATOM 1275 O LEU 66 37.849 24.996 −3.856 1.0032.31 ATOM 1276 CB LEU 66 39.061 25.758 −0.775 1.00 31.90 ATOM 1277 CGLEU 66 37.995 24.752 −0.377 1.00 32.41 ATOM 1278 CD1 LEU 66 38.59023.305 −0.361 1.00 35.12 ATOM 1279 CD2 LEU 66 37.421 25.135 0.955 1.0031.49 ATOM 1280 N GLU 68 38.341 27.610 −6.063 1.00 37.55 ATOM 1281 CAGLU 68 38.771 27.390 −7.422 1.00 40.89 ATOM 1282 C GLU 68 38.784 25.887−7.739 1.00 43.79 ATOM 1283 O GLU 68 38.320 25.502 −8.793 1.00 42.72ATOM 1284 CB GLU 68 40.128 28.049 −7.679 1.00 40.31 ATOM 1285 CG GLU 6840.090 29.562 −7.438 1.00 38.64 ATOM 1286 CD GLU 68 39.309 30.285 −8.5181.00 38.78 ATOM 1287 OE1 GLU 68 39.045 29.632 −9.551 1.00 36.65 ATOM1288 OE2 GLU 68 38.971 31.505 −8.366 1.00 38.57 ATOM 1289 N GLN 6939.247 25.068 −6.786 1.00 47.57 ATOM 1290 CA GLN 69 39.388 23.612 −6.9881.00 52.47 ATOM 1291 C GLN 69 38.048 22.908 −7.080 1.00 53.85 ATOM 1292O GLN 69 37.912 21.936 −7.810 1.00 54.85 ATOM 1293 CB GLN 69 40.20022.961 −5.857 1.00 52.64 ATOM 1294 CG GLN 69 41.709 22.868 −6.141 1.0055.16 ATOM 1295 CD GLN 69 42.618 22.724 −4.878 1.00 55.40 ATOM 1296 OE1GLN 69 42.147 22.602 −3.726 1.00 59.00 ATOM 1297 NE2 GLN 69 43.93122.746 −5.114 1.00 57.66 ATOM 1298 N GLU 85 36.599 20.020 4.284 1.0034.50 ATOM 1299 CA GLU 85 37.788 20.139 3.477 1.00 36.41 ATOM 1300 C GLU85 38.564 21.421 3.793 1.00 35.63 ATOM 1301 O GLU 85 39.804 21.403 3.8681.00 36.27 ATOM 1302 CB GLU 85 37.430 20.063 2.005 1.00 37.22 ATOM 1303CG GLU 85 38.661 19.976 1.159 1.00 44.97 ATOM 1304 CD GLU 85 38.43219.342 −0.195 1.00 52.91 ATOM 1305 OE1 GLU 85 37.489 18.508 −0.323 1.0054.95 ATOM 1306 OE2 GLU 85 39.214 19.693 −1.131 1.00 55.69 ATOM 1307 NMET 86 37.842 22.524 4.012 1.00 33.82 ATOM 1308 CA MET 86 38.514 23.7664.412 1.00 33.23 ATOM 1309 C MET 86 39.369 23.647 5.676 1.00 34.16 ATOM1310 O MET 86 40.527 24.057 5.679 1.00 34.95 ATOM 1311 CB MET 86 37.50724.910 4.647 1.00 32.36 ATOM 1312 CG MET 86 38.202 26.275 4.769 1.0031.48 ATOM 1313 SD MET 86 37.050 27.565 5.210 1.00 29.78 ATOM 1314 CEMET 86 36.275 27.008 6.773 1.00 22.03 ATOM 1315 N VAL 87 38.796 23.1746.771 1.00 36.21 ATOM 1316 CA VAL 87 39.569 23.133 8.040 1.00 37.84 ATOM1317 C VAL 87 40.803 22.254 7.905 1.00 39.36 ATOM 1318 O VAL 87 41.83822.528 8.531 1.00 40.24 ATOM 1319 CB VAL 87 38.730 22.674 9.245 1.0038.61 ATOM 1320 CG1 VAL 87 37.639 23.672 9.519 1.00 37.63 ATOM 1321 CG2VAL 87 38.122 21.273 9.011 1.00 37.58 ATOM 1322 N ALA 88 40.699 21.2107.071 1.00 39.92 ATOM 1323 CA ALA 88 41.823 20.292 6.824 1.00 40.37 ATOM1324 C ALA 88 42.893 20.943 5.987 1.00 40.95 ATOM 1325 O ALA 88 44.08220.856 6.326 1.00 41.91 ATOM 1326 CB ALA 88 41.339 19.022 6.156 1.0040.29 ATOM 1327 N LEU 89 42.467 21.627 4.917 1.00 40.06 ATOM 1328 CA LEU89 43.380 22.334 4.017 1.00 40.50 ATOM 1329 C LEU 89 44.174 23.435 4.7451.00 39.98 ATOM 1330 O LEU 89 45.363 23.668 4.462 1.00 38.44 ATOM 1331CB LEU 89 42.588 22.951 2.848 1.00 40.68 ATOM 1332 CG LEU 89 43.37023.782 1.820 1.00 41.74 ATOM 1333 CD1 LEU 89 44.363 22.868 1.059 1.0044.04 ATOM 1334 CD2 LEU 89 42.426 24.484 0.818 1.00 40.51 ATOM 1335 NLEU 90 43.494 24.101 5.678 1.00 40.31 ATOM 1336 CA LEU 90 44.053 25.2406.402 1.00 40.41 ATOM 1337 C LEU 90 44.739 24.813 7.709 1.00 41.69 ATOM1338 O LEU 90 45.256 25.655 8.483 1.00 40.27 ATOM 1339 CB LEU 90 42.95526.234 6.699 1.00 39.60 ATOM 1340 CG LEU 90 43.070 27.082 5.455 1.0038.10 ATOM 1341 CD1 LEU 90 41.936 26.856 4.502 1.00 33.65 ATOM 1342 CD2LEU 90 43.272 28.457 5.834 1.00 34.46 ATOM 1343 N ASP 91 44.738 23.4947.925 1.00 41.99 ATOM 1344 CA ASP 91 45.381 22.868 9.110 1.00 42.31 ATOM1345 C ASP 91 44.863 23.449 10.409 1.00 41.35 ATOM 1346 O ASP 91 45.66923.923 11.225 1.00 42.00 ATOM 1347 CB ASP 91 46.900 23.075 9.073 1.0042.72 ATOM 1348 CG ASP 91 47.545 22.472 7.880 1.00 46.18 ATOM 1349 OD1ASP 91 47.169 21.337 7.503 1.00 52.04 ATOM 1350 OD2 ASP 91 48.439 23.1247.313 1.00 48.88 ATOM 1351 N SER 92 43.543 23.426 10.605 1.00 40.27 ATOM1352 CA SER 92 42.920 24.003 11.793 1.00 39.39 ATOM 1353 C SER 92 41.86423.088 12.372 1.00 40.36 ATOM 1354 O SER 92 41.378 22.183 11.699 1.0042.15 ATOM 1355 CB SER 92 42.236 25.342 11.488 1.00 39.41 ATOM 1356 OGSER 92 41.483 25.795 12.630 1.00 34.46 ATOM 1357 N ARG 93 41.454 23.37813.594 1.00 40.29 ATOM 1358 CA ARG 93 40.521 22.535 14.309 1.00 42.05ATOM 1359 C ARG 93 39.068 22.948 14.088 1.00 40.68 ATOM 1360 O ARG 9338.152 22.193 14.428 1.00 41.97 ATOM 1361 CB ARG 93 40.847 22.576 15.7991.00 42.19 ATOM 1362 CG ARG 93 39.854 23.386 16.613 1.00 45.63 ATOM 1363CD ARG 93 40.382 23.916 17.978 1.00 46.18 ATOM 1364 NE ARG 93 39.61725.125 18.363 1.00 54.20 ATOM 1365 CZ ARG 93 38.309 25.154 18.680 1.0054.69 ATOM 1366 NH1 ARG 93 37.576 24.036 18.686 1.00 58.29 ATOM 1367 NH2ARG 93 37.720 26.307 18.984 1.00 56.33 ATOM 1368 N ALA 94 38.842 24.15113.541 1.00 37.80 ATOM 1369 CA ALA 94 37.501 24.726 13.516 1.00 35.70ATOM 1370 C ALA 94 37.410 25.833 12.474 1.00 34.21 ATOM 1371 O ALA 9438.389 26.471 12.193 1.00 33.40 ATOM 1372 CB ALA 94 37.134 25.284 14.8431.00 34.97 ATOM 1373 N LYS 106 38.708 65.977 15.909 1.00 31.12 ATOM 1374CA LYS 106 39.798 66.800 15.380 1.00 32.80 ATOM 1375 C LYS 106 41.14566.122 15.628 1.00 32.96 ATOM 1376 O LYS 106 41.449 65.723 16.783 1.0033.18 ATOM 1377 CB LYS 106 39.757 68.191 16.041 1.00 34.65 ATOM 1378 CGLYS 106 40.696 69.235 15.401 1.00 39.55 ATOM 1379 CD LYS 106 40.00870.188 14.406 1.00 47.35 ATOM 1380 CE LYS 106 38.963 71.096 15.070 1.0049.33 ATOM 1381 NZ LYS 106 39.461 71.819 16.300 1.00 54.56 ATOM 1382 NLYS 107 41.930 65.936 14.557 1.00 31.08 ATOM 1383 CA LYS 107 43.26365.361 14.676 1.00 30.55 ATOM 1384 C LYS 107 44.327 66.386 14.279 1.0030.89 ATOM 1385 O LYS 107 44.023 67.385 13.627 1.00 31.02 ATOM 1386 CBLYS 107 43.437 64.118 13.789 1.00 30.30 ATOM 1387 CG LYS 107 42.29163.137 13.910 1.00 30.97 ATOM 1388 CD LYS 107 42.610 61.772 13.245 1.0029.55 ATOM 1389 CE LYS 107 43.721 61.074 13.925 1.00 27.26 ATOM 1390 NZLYS 107 43.937 59.742 13.259 1.00 25.91 ATOM 1391 N THR 108 45.56166.081 14.645 1.00 31.14 ATOM 1392 CA THR 108 46.746 66.902 14.404 1.0032.51 ATOM 1393 C THR 108 47.714 66.097 13.548 1.00 32.54 ATOM 1394 OTHR 108 48.188 65.028 13.983 1.00 33.24 ATOM 1395 CB THR 108 47.39767.166 15.779 1.00 32.61 ATOM 1396 OG1 THR 108 46.422 67.786 16.589 1.0035.34 ATOM 1397 CG2 THR 108 48.586 68.069 15.699 1.00 33.31 ATOM 1398 NALA 109 48.002 66.566 12.335 1.00 33.07 ATOM 1399 CA ALA 109 49.01865.906 11.498 1.00 33.80 ATOM 1400 C ALA 109 50.355 65.718 12.250 1.0034.89 ATOM 1401 O ALA 109 50.734 66.564 13.083 1.00 34.88 ATOM 1402 CBALA 109 49.209 66.686 10.195 1.00 34.10 ATOM 1403 N PRO 110 51.05764.576 11.991 1.00 35.11 ATOM 1404 CA PRO 110 52.171 64.180 12.837 1.0035.19 ATOM 1405 C PRO 110 53.463 64.984 12.693 1.00 35.83 ATOM 1406 OPRO 110 54.287 64.898 13.615 1.00 36.44 ATOM 1407 CB PRO 110 52.42662.722 12.426 1.00 35.24 ATOM 1408 CG PRO 110 51.888 62.618 11.047 1.0035.53 ATOM 1409 CD PRO 110 50.757 63.576 10.945 1.00 33.91 ATOM 1410 NVAL 111 53.642 65.732 11.579 1.00 34.87 ATOM 1411 CA VAL 111 54.84566.561 11.401 1.00 34.55 ATOM 1412 C VAL 111 54.480 68.049 11.361 1.0034.44 ATOM 1413 O VAL 111 54.889 68.807 12.217 1.00 34.73 ATOM 1414 CBVAL 111 55.721 66.104 10.201 1.00 35.20 ATOM 1415 CG1 VAL 111 56.92667.053 10.018 1.00 35.13 ATOM 1416 CG2 VAL 111 56.258 64.662 10.458 1.0033.36 ATOM 1417 N SER 112 53.644 68.445 10.411 1.00 34.36 ATOM 1418 CASER 112 53.171 69.829 10.301 1.00 33.65 ATOM 1419 C SER 112 52.27670.296 11.430 1.00 34.37 ATOM 1420 O SER 112 52.205 71.522 11.716 1.0034.40 ATOM 1421 CB SER 112 52.457 70.035 8.980 1.00 33.85 ATOM 1422 OGSER 112 51.195 69.359 8.954 1.00 32.93 ATOM 1423 N GLY 113 51.573 69.34812.067 1.00 33.94 ATOM 1424 CA GLY 113 50.585 69.684 13.125 1.00 32.54ATOM 1425 C GLY 113 49.345 70.397 12.624 1.00 33.41 ATOM 1426 O GLY 11348.569 70.950 13.442 1.00 32.86 ATOM 1427 N ILE 114 49.131 70.384 11.2891.00 33.45 ATOM 1428 CA ILE 114 47.931 70.990 10.697 1.00 34.24 ATOM1429 C ILE 114 46.768 70.138 11.217 1.00 34.53 ATOM 1430 O ILE 11446.890 68.901 11.331 1.00 33.15 ATOM 1431 CB ILE 114 47.910 70.965 9.1341.00 35.17 ATOM 1432 CG1 ILE 114 49.151 71.641 8.519 1.00 38.77 ATOM1433 CG2 ILE 114 46.701 71.682 8.582 1.00 33.39 ATOM 1434 CD1 ILE 11449.226 73.088 8.731 1.00 42.74 ATOM 1435 N ARG 115 45.664 70.796 11.5621.00 34.61 ATOM 1436 CA ARG 115 44.558 70.079 12.189 1.00 35.62 ATOM1437 C ARG 115 43.499 69.759 11.134 1.00 33.87 ATOM 1438 O ARG 11543.329 70.512 10.171 1.00 32.92 ATOM 1439 CB ARG 115 43.976 70.84413.399 1.00 35.86 ATOM 1440 CG ARG 115 45.049 71.225 14.495 1.00 39.50ATOM 1441 CD ARG 115 44.457 71.218 15.918 1.00 41.37 ATOM 1442 NE ARG115 44.156 69.839 16.349 1.00 49.17 ATOM 1443 CZ ARG 115 43.421 69.48617.420 1.00 50.07 ATOM 1444 NH1 ARG 115 42.877 70.418 18.205 1.00 52.25ATOM 1445 NH2 ARG 115 43.228 68.182 17.705 1.00 50.44 ATOM 1446 N SER116 42.829 68.612 11.305 1.00 32.49 ATOM 1447 CA SER 116 41.712 68.25610.444 1.00 31.24 ATOM 1448 C SER 116 40.804 67.204 11.123 1.00 30.84ATOM 1449 O SER 116 41.201 66.486 12.080 1.00 31.63 ATOM 1450 CB SER 11642.218 67.835 9.021 1.00 31.35 ATOM 1451 OG SER 116 42.970 66.625 9.0621.00 29.62 ATOM 1452 N PRO 142 38.636 53.573 10.939 1.00 23.23 ATOM 1453CA PRO 142 39.398 53.247 9.753 1.00 23.79 ATOM 1454 C PRO 142 40.86653.611 9.963 1.00 24.65 ATOM 1455 O PRO 142 41.162 54.667 10.563 1.0025.09 ATOM 1456 CB PRO 142 38.715 54.125 8.699 1.00 24.09 ATOM 1457 CGPRO 142 38.391 55.456 9.539 1.00 23.27 ATOM 1458 CD PRO 142 37.97854.901 10.870 1.00 23.22 ATOM 1459 N VAL 143 41.771 52.733 9.512 1.0024.51 ATOM 1460 CA VAL 143 43.210 52.865 9.769 1.00 25.26 ATOM 1461 CVAL 143 43.912 52.341 8.527 1.00 26.54 ATOM 1462 O VAL 143 43.270 51.8057.611 1.00 25.34 ATOM 1463 CB VAL 143 43.698 52.054 11.032 1.00 24.57ATOM 1464 CG1 VAL 143 42.985 52.533 12.322 1.00 25.48 ATOM 1465 CG2 VAL143 43.463 50.510 10.826 1.00 23.63 ATOM 1466 N THR 144 45.225 52.5428.503 1.00 27.67 ATOM 1467 CA THR 144 46.106 51.971 7.510 1.00 27.19ATOM 1468 C THR 144 46.653 50.618 8.005 1.00 27.74 ATOM 1469 O THR 14447.110 50.536 9.150 1.00 27.09 ATOM 1470 CB THR 144 47.302 52.895 7.2811.00 27.10 ATOM 1471 OG1 THR 144 46.827 54.201 6.909 1.00 24.38 ATOM1472 CG2 THR 144 48.174 52.329 6.162 1.00 28.95 ATOM 1473 N SER 14546.572 49.569 7.157 1.00 26.89 ATOM 1474 CA SER 145 47.241 48.293 7.4421.00 27.89 ATOM 1475 C SER 145 48.318 48.049 6.381 1.00 28.66 ATOM 1476O SER 145 48.130 48.418 5.237 1.00 28.16 ATOM 1477 CB SER 145 46.21747.132 7.504 1.00 28.02 ATOM 1478 OG SER 145 45.570 46.960 6.232 1.0026.68 ATOM 1479 N LEU 146 49.460 47.468 6.756 1.00 29.89 ATOM 1480 CALEU 146 50.545 47.208 5.789 1.00 29.68 ATOM 1481 C LEU 146 51.070 45.7875.993 1.00 30.59 ATOM 1482 O LEU 146 51.229 45.362 7.132 1.00 28.81 ATOM1483 CB LEU 146 51.662 48.237 5.962 1.00 29.41 ATOM 1484 CG LEU 14652.892 48.155 5.020 1.00 29.93 ATOM 1485 CD1 LEU 146 53.407 49.526 4.6671.00 27.71 ATOM 1486 CD2 LEU 146 54.018 47.284 5.659 1.00 28.67 ATOM1487 N CYS 147 51.337 45.045 4.903 1.00 31.66 ATOM 1488 CA CYS 14751.527 43.581 5.043 1.00 31.98 ATOM 1489 C CYS 147 52.968 43.149 5.4211.00 31.99 ATOM 1490 O CYS 147 53.908 43.398 4.649 1.00 31.52 ATOM 1491CB CYS 147 51.081 42.864 3.767 1.00 31.07 ATOM 1492 SG CYS 147 51.16041.046 3.962 1.00 34.30 ATOM 1493 N PRO 148 53.160 42.488 6.599 1.0032.55 ATOM 1494 CA PRO 148 54.563 42.078 6.962 1.00 33.44 ATOM 1495 CPRO 148 55.189 41.064 5.986 1.00 34.23 ATOM 1496 O PRO 148 56.410 41.0575.794 1.00 34.47 ATOM 1497 CB PRO 148 54.420 41.429 8.350 1.00 33.47ATOM 1498 CG PRO 148 53.058 41.894 8.878 1.00 33.36 ATOM 1499 CD PRO 14852.191 42.134 7.641 1.00 32.15 ATOM 1500 N CYS 149 54.353 40.234 5.3581.00 35.48 ATOM 1501 CA CYS 149 54.815 39.212 4.420 1.00 34.64 ATOM 1502C CYS 149 55.291 39.887 3.120 1.00 33.98 ATOM 1503 O CYS 149 56.40039.584 2.588 1.00 33.37 ATOM 1504 CB CYS 149 53.683 38.205 4.164 1.0034.81 ATOM 1505 SG CYS 149 54.068 36.986 2.863 1.00 41.23 ATOM 1506 NSER 150 54.474 40.834 2.636 1.00 32.17 ATOM 1507 CA SER 150 54.84041.677 1.498 1.00 31.42 ATOM 1508 C SER 150 56.187 42.422 1.673 1.0031.54 ATOM 1509 O SER 150 57.066 42.369 0.783 1.00 31.16 ATOM 1510 CBSER 150 53.698 42.692 1.218 1.00 31.09 ATOM 1511 OG SER 150 54.01243.515 0.114 1.00 28.82 ATOM 1512 N LYS 151 56.340 43.137 2.787 1.0030.89 ATOM 1513 CA LYS 151 57.609 43.773 3.108 1.00 32.75 ATOM 1514 CLYS 151 58.783 42.735 3.082 1.00 34.08 ATOM 1515 O LYS 151 59.806 42.9222.380 1.00 35.64 ATOM 1516 CB LYS 151 57.521 44.443 4.506 1.00 31.90ATOM 1517 CG LYS 151 58.790 45.152 4.942 1.00 31.20 ATOM 1518 CD LYS 15158.619 45.793 6.326 1.00 31.30 ATOM 1519 CE LYS 151 59.952 46.371 6.7761.00 33.03 ATOM 1520 NZ LYS 151 59.848 47.112 8.026 1.00 30.24 ATOM 1521N GLU 152 58.639 41.671 3.850 1.00 35.50 ATOM 1522 CA GLU 152 59.70740.675 4.032 1.00 38.06 ATOM 1523 C GLU 152 60.216 40.033 2.718 1.0038.25 ATOM 1524 O GLU 152 61.426 39.897 2.526 1.00 39.41 ATOM 1525 CBGLU 152 59.253 39.597 5.017 1.00 39.11 ATOM 1526 CG GLU 152 60.09138.324 4.985 1.00 45.31 ATOM 1527 CD GLU 152 59.694 37.369 6.069 1.0052.84 ATOM 1528 OE1 GLU 152 58.956 36.401 5.769 1.00 57.04 ATOM 1529 OE2GLU 152 60.086 37.614 7.237 1.00 57.07 ATOM 1530 N ILE 153 59.302 39.6451.824 1.00 37.49 ATOM 1531 CA ILE 153 59.688 38.928 0.608 1.00 37.01ATOM 1532 C ILE 153 60.152 39.898 −0.517 1.00 37.61 ATOM 1533 O ILE 15360.871 39.477 −1.429 1.00 37.14 ATOM 1534 CB ILE 153 58.543 37.957 0.1131.00 37.48 ATOM 1535 CG1 ILE 153 57.332 38.750 −0.436 1.00 37.02 ATOM1536 CG2 ILE 153 58.110 36.947 1.257 1.00 35.87 ATOM 1537 CD1 ILE 15356.064 37.955 −0.708 1.00 36.43 ATOM 1538 N SER 154 59.742 41.184 −0.4511.00 36.39 ATOM 1539 CA SER 154 59.982 42.125 −1.561 1.00 36.06 ATOM1540 C SER 154 61.247 42.893 −1.398 1.00 36.42 ATOM 1541 O SER 15461.594 43.277 −0.288 1.00 36.52 ATOM 1542 CB SER 154 58.810 43.104−1.733 1.00 34.92 ATOM 1543 OG SER 154 57.623 42.347 −1.874 1.00 34.60ATOM 1544 N GLN 155 61.952 43.146 −2.491 1.00 37.31 ATOM 1545 CA GLN 15563.209 43.910 −2.338 1.00 39.20 ATOM 1546 C GLN 155 62.959 45.361 −2.0041.00 38.30 ATOM 1547 O GLN 155 63.840 46.057 −1.475 1.00 37.74 ATOM 1548CB GLN 155 64.129 43.785 −3.565 1.00 40.45 ATOM 1549 CG GLN 155 63.55644.240 −4.895 1.00 42.35 ATOM 1550 CD GLN 155 64.560 44.047 −6.021 1.0042.99 ATOM 1551 OE1 GLN 155 65.753 44.345 −5.856 1.00 45.28 ATOM 1552NE2 GLN 155 64.086 43.541 −7.171 1.00 46.69 ATOM 1553 N TYR 156 61.73945.810 −2.305 1.00 37.89 ATOM 1554 CA TYR 156 61.285 47.172 −1.997 1.0036.80 ATOM 1555 C TYR 156 59.761 47.230 −2.042 1.00 36.04 ATOM 1556 OTYR 156 59.130 46.344 −2.647 1.00 36.63 ATOM 1557 CB TYR 156 61.93448.202 −2.936 1.00 36.72 ATOM 1558 CG TYR 156 62.101 47.789 −4.392 1.0036.70 ATOM 1559 CD1 TYR 156 61.034 47.312 −5.141 1.00 37.81 ATOM 1560CD2 TYR 156 63.346 47.894 −5.026 1.00 38.83 ATOM 1561 CE1 TYR 156 61.20146.948 −6.492 1.00 37.24 ATOM 1562 CE2 TYR 156 63.520 47.546 −6.405 1.0038.26 ATOM 1563 CZ TYR 156 62.456 47.086 −7.110 1.00 37.10 ATOM 1564 OHTYR 156 62.629 46.764 −8.447 1.00 37.14 ATOM 1565 N GLY 157 59.15948.216 −1.365 1.00 34.75 ATOM 1566 CA GLY 157 57.687 48.263 −1.303 1.0033.03 ATOM 1567 C GLY 157 57.048 47.295 −0.316 1.00 31.76 ATOM 1568 OGLY 157 57.700 46.349 0.178 1.00 30.74 ATOM 1569 N ALA 158 55.778 47.550−0.010 1.00 30.83 ATOM 1570 CA ALA 158 54.967 46.646 0.799 1.00 31.12ATOM 1571 C ALA 158 53.511 46.998 0.556 1.00 30.73 ATOM 1572 O ALA 15853.158 48.186 0.675 1.00 31.76 ATOM 1573 CB ALA 158 55.327 46.795 2.2951.00 30.85 ATOM 1574 N HIS 159 52.661 46.030 0.177 1.00 28.96 ATOM 1575CA HIS 159 51.271 46.418 −0.084 1.00 27.54 ATOM 1576 C HIS 159 50.59346.832 1.198 1.00 26.90 ATOM 1577 O HIS 159 50.909 46.304 2.264 1.0027.11 ATOM 1578 CB HIS 159 50.445 45.374 −0.843 1.00 27.56 ATOM 1579 CGHIS 159 49.942 44.219 −0.023 1.00 27.53 ATOM 1580 ND1 HIS 159 48.77144.283 0.707 1.00 28.80 ATOM 1581 CD2 HIS 159 50.386 42.937 0.080 1.0025.15 ATOM 1582 CE1 HIS 159 48.537 43.109 1.261 1.00 26.96 ATOM 1583 NE2HIS 159 49.509 42.275 0.905 1.00 27.80 ATOM 1584 N ASN 160 49.683 47.7941.076 1.00 25.77 ATOM 1585 CA ASN 160 49.021 48.415 2.233 1.00 24.99ATOM 1586 C ASN 160 47.670 48.860 1.744 1.00 25.23 ATOM 1587 O ASN 16047.413 48.871 0.501 1.00 25.07 ATOM 1588 CB ASN 160 49.886 49.533 2.8821.00 24.72 ATOM 1589 CG ASN 160 50.412 50.583 1.905 1.00 26.68 ATOM 1590OD1 ASN 160 51.537 50.449 1.397 1.00 31.21 ATOM 1591 ND2 ASN 160 49.66551.679 1.721 1.00 22.78 ATOM 1592 N GLN 161 46.763 49.133 2.659 1.0024.62 ATOM 1593 CA GLN 161 45.373 49.346 2.282 1.00 25.62 ATOM 1594 CGLN 161 44.660 49.983 3.461 1.00 25.75 ATOM 1595 O GLN 161 45.160 49.9114.567 1.00 25.66 ATOM 1596 CB GLN 161 44.663 48.030 1.948 1.00 24.86ATOM 1597 CG GLN 161 44.856 46.908 3.004 1.00 25.88 ATOM 1598 CD GLN 16146.155 46.130 2.795 1.00 26.01 ATOM 1599 OE1 GLN 161 46.542 45.812 1.6521.00 25.80 ATOM 1600 NE2 GLN 161 46.835 45.811 3.899 1.00 24.43 ATOM1601 N ARG 162 43.511 50.606 3.202 1.00 25.37 ATOM 1602 CA ARG 16242.654 51.021 4.265 1.00 26.23 ATOM 1603 C ARG 162 42.032 49.766 4.9131.00 26.60 ATOM 1604 O ARG 162 41.775 48.749 4.252 1.00 25.80 ATOM 1605CB ARG 162 41.556 51.925 3.741 1.00 26.40 ATOM 1606 CG ARG 162 40.99252.868 4.879 1.00 29.11 ATOM 1607 CD ARG 162 39.866 53.804 4.360 1.0027.52 ATOM 1608 NE ARG 162 40.374 54.762 3.381 1.00 26.18 ATOM 1609 CZARG 162 39.603 55.301 2.453 1.00 19.53 ATOM 1610 NH1 ARG 162 38.28354.963 2.374 1.00 23.76 ATOM 1611 NH2 ARG 162 40.179 56.167 1.612 1.0023.47 ATOM 1612 N SER 163 41.787 49.876 6.208 1.00 26.65 ATOM 1613 CASER 163 41.244 48.793 6.987 1.00 27.57 ATOM 1614 C SER 163 40.155 49.3687.909 1.00 26.82 ATOM 1615 O SER 163 40.152 50.577 8.235 1.00 26.70 ATOM1616 CB SER 163 42.423 48.044 7.657 1.00 27.35 ATOM 1617 OG SER 16342.151 47.777 9.023 1.00 35.69 ATOM 1618 N ILE 181 38.506 54.867 20.1511.00 22.91 ATOM 1619 CA ILE 181 39.317 55.319 18.995 1.00 23.75 ATOM1620 C ILE 181 40.825 55.261 19.310 1.00 26.04 ATOM 1621 O ILE 18141.638 54.746 18.478 1.00 27.11 ATOM 1622 CB ILE 181 38.911 56.79018.555 1.00 23.88 ATOM 1623 CG1 ILE 181 37.430 56.843 18.071 1.00 21.17ATOM 1624 CG2 ILE 181 39.925 57.390 17.477 1.00 21.79 ATOM 1625 CD1 ILE181 36.943 58.289 17.780 1.00 20.98 ATOM 1626 N ASP 182 41.225 55.77720.488 1.00 26.54 ATOM 1627 CA ASP 182 42.657 55.804 20.814 1.00 26.69ATOM 1628 C ASP 182 43.199 54.396 20.957 1.00 25.88 ATOM 1629 O ASP 18244.296 54.134 20.514 1.00 26.00 ATOM 1630 CB ASP 182 42.995 56.64822.070 1.00 27.60 ATOM 1631 CG ASP 182 42.783 58.157 21.860 1.00 30.47ATOM 1632 OD1 ASP 182 42.991 58.661 20.746 1.00 31.48 ATOM 1633 OD2 ASP182 42.373 58.844 22.814 1.00 33.73 ATOM 1634 N TYR 183 42.452 53.49021.589 1.00 26.54 ATOM 1635 CA TYR 183 42.882 52.083 21.703 1.00 26.51ATOM 1636 C TYR 183 43.281 51.500 20.323 1.00 27.37 ATOM 1637 O TYR 18344.284 50.774 20.180 1.00 28.29 ATOM 1638 CB TYR 183 41.761 51.24822.358 1.00 27.89 ATOM 1639 CG TYR 183 41.688 51.296 23.877 1.00 27.72ATOM 1640 CD1 TYR 183 42.832 51.358 24.634 1.00 31.11 ATOM 1641 CD2 TYR183 40.457 51.235 24.546 1.00 27.18 ATOM 1642 CE1 TYR 183 42.777 51.36626.075 1.00 32.80 ATOM 1643 CE2 TYR 183 40.377 51.263 25.943 1.00 31.64ATOM 1644 CZ TYR 183 41.555 51.318 26.706 1.00 31.01 ATOM 1645 OH TYR183 41.507 51.305 28.099 1.00 33.34 ATOM 1646 N VAL 184 42.476 51.79419.307 1.00 26.40 ATOM 1647 CA VAL 184 42.668 51.208 17.997 1.00 24.57ATOM 1648 C VAL 184 43.796 51.942 17.240 1.00 25.20 ATOM 1649 O VAL 18444.694 51.321 16.708 1.00 25.99 ATOM 1650 CB VAL 184 41.309 51.22317.190 1.00 23.34 ATOM 1651 CG1 VAL 184 41.538 50.986 15.671 1.00 24.07ATOM 1652 CG2 VAL 184 40.331 50.125 17.729 1.00 21.77 ATOM 1653 N GLU185 43.711 53.261 17.177 1.00 25.17 ATOM 1654 CA GLU 185 44.647 54.08216.391 1.00 25.55 ATOM 1655 C GLU 185 46.078 53.861 16.857 1.00 27.14ATOM 1656 O GLU 185 47.019 53.873 16.027 1.00 26.38 ATOM 1657 CB GLU 18544.185 55.548 16.421 1.00 25.17 ATOM 1658 CG GLU 185 42.920 55.79915.549 1.00 23.68 ATOM 1659 CD GLU 185 42.609 57.281 15.318 1.00 26.50ATOM 1660 OE1 GLU 185 42.984 58.100 16.171 1.00 24.21 ATOM 1661 OE2 GLU185 41.987 57.636 14.288 1.00 26.85 ATOM 1662 N THR 186 46.230 53.59718.172 1.00 27.44 ATOM 1663 CA THR 186 47.548 53.360 18.780 1.00 29.10ATOM 1664 C THR 186 48.130 52.082 18.223 1.00 28.82 ATOM 1665 O THR 18649.335 51.950 18.137 1.00 29.57 ATOM 1666 CB THR 186 47.488 53.17120.331 1.00 28.74 ATOM 1667 OG1 THR 186 46.989 54.361 20.926 1.00 31.76ATOM 1668 CG2 THR 186 48.900 52.980 20.950 1.00 31.01 ATOM 1669 N GLN187 47.266 51.138 17.880 1.00 27.63 ATOM 1670 CA GLN 187 47.734 49.83817.463 1.00 27.72 ATOM 1671 C GLN 187 47.895 49.701 15.963 1.00 27.83ATOM 1672 O GLN 187 48.495 48.744 15.524 1.00 29.63 ATOM 1673 CB GLN 18746.797 48.744 17.974 1.00 27.75 ATOM 1674 CG GLN 187 46.783 48.57919.519 1.00 26.73 ATOM 1675 CD GLN 187 48.157 48.394 20.097 1.00 27.76ATOM 1676 OE1 GLN 187 49.015 47.700 19.533 1.00 30.15 ATOM 1677 NE2 GLN187 48.378 48.979 21.239 1.00 28.32 ATOM 1678 N ALA 188 47.356 50.62515.176 1.00 27.23 ATOM 1679 CA ALA 188 47.369 50.474 13.725 1.00 27.88ATOM 1680 C ALA 188 48.791 50.622 13.135 1.00 28.74 ATOM 1681 O ALA 18849.614 51.334 13.715 1.00 28.55 ATOM 1682 CB ALA 188 46.445 51.51713.118 1.00 27.58 ATOM 1683 N SER 189 49.102 49.935 12.010 1.00 28.35ATOM 1684 CA SER 189 50.358 50.217 11.299 1.00 28.39 ATOM 1685 C SER 18950.551 51.741 11.159 1.00 28.75 ATOM 1686 O SER 189 51.626 52.259 11.4741.00 29.75 ATOM 1687 CB SER 189 50.435 49.501 9.947 1.00 28.00 ATOM 1688OG SER 189 50.545 48.071 10.203 1.00 31.33 ATOM 1689 N CYS 190 49.50352.434 10.730 1.00 28.89 ATOM 1690 CA CYS 190 49.416 53.884 10.865 1.0029.72 ATOM 1691 C CYS 190 47.958 54.324 10.868 1.00 29.12 ATOM 1692 OCYS 190 47.134 53.764 10.176 1.00 29.39 ATOM 1693 CB CYS 190 50.18354.607 9.738 1.00 29.28 ATOM 1694 SG CYS 190 50.602 56.361 10.127 1.0031.60 ATOM 1695 N GLN 191 47.637 55.341 11.649 1.00 28.56 ATOM 1696 CAGLN 191 46.306 55.907 11.624 1.00 28.62 ATOM 1697 C GLN 191 46.09356.881 10.431 1.00 28.18 ATOM 1698 O GLN 191 47.055 57.305 9.816 1.0030.09 ATOM 1699 CB GLN 191 46.007 56.587 12.982 1.00 27.91 ATOM 1700 CGGLN 191 46.917 57.763 13.269 1.00 29.69 ATOM 1701 CD GLN 191 46.74558.292 14.681 1.00 28.05 ATOM 1702 OE1 GLN 191 45.815 59.041 14.953 1.0026.08 ATOM 1703 NE2 GLN 191 47.663 57.940 15.563 1.00 27.88 ATOM 1704 NLEU 192 44.838 57.261 10.165 1.00 27.13 ATOM 1705 CA LEU 192 44.45858.173 9.084 1.00 26.58 ATOM 1706 C LEU 192 44.288 59.643 9.519 1.0026.86 ATOM 1707 O LEU 192 43.984 59.927 10.665 1.00 26.33 ATOM 1708 CBLEU 192 43.123 57.728 8.459 1.00 25.94 ATOM 1709 CG LEU 192 42.97556.272 8.007 1.00 25.68 ATOM 1710 CD1 LEU 192 41.595 56.059 7.442 1.0024.34 ATOM 1711 CD2 LEU 192 44.038 55.909 6.967 1.00 25.68 ATOM 1712 NTYR 193 44.460 60.540 8.550 1.00 26.29 ATOM 1713 CA TYR 193 44.26462.010 8.677 1.00 27.06 ATOM 1714 C TYR 193 43.652 62.508 7.373 1.0027.76 ATOM 1715 O TYR 193 43.991 61.962 6.293 1.00 28.41 ATOM 1716 CBTYR 193 45.624 62.683 8.820 1.00 26.43 ATOM 1717 CG TYR 193 46.40962.194 10.009 1.00 26.85 ATOM 1718 CD1 TYR 193 46.305 62.834 11.260 1.0026.58 ATOM 1719 CD2 TYR 193 47.243 61.076 9.887 1.00 28.66 ATOM 1720 CE1TYR 193 47.035 62.375 12.367 1.00 24.85 ATOM 1721 CE2 TYR 193 47.96760.602 10.959 1.00 26.95 ATOM 1722 CZ TYR 193 47.841 61.248 12.187 1.0026.61 ATOM 1723 OH TYR 193 48.580 60.752 13.189 1.00 26.01 ATOM 1724 NGLY 194 42.805 63.541 7.430 1.00 27.45 ATOM 1725 CA GLY 194 42.21964.052 6.211 1.00 28.39 ATOM 1726 C GLY 194 43.250 64.943 5.558 1.0029.37 ATOM 1727 O GLY 194 43.404 64.987 4.351 1.00 29.71 ATOM 1728 N LEU195 43.997 65.660 6.377 1.00 30.72 ATOM 1729 CA LEU 195 44.913 66.6715.828 1.00 30.71 ATOM 1730 C LEU 195 46.347 66.356 6.172 1.00 29.77 ATOM1731 O LEU 195 46.736 66.317 7.330 1.00 28.47 ATOM 1732 CB LEU 19544.495 68.064 6.282 1.00 30.93 ATOM 1733 CG LEU 195 44.897 69.300 5.4591.00 33.19 ATOM 1734 CD1 LEU 195 44.301 70.553 6.174 1.00 33.40 ATOM1735 CD2 LEU 195 46.381 69.408 5.430 1.00 35.11 ATOM 1736 N LEU 19647.125 66.119 5.120 1.00 29.88 ATOM 1737 CA LEU 196 48.509 65.742 5.2341.00 31.16 ATOM 1738 C LEU 196 49.300 66.583 4.255 1.00 32.87 ATOM 1739O LEU 196 48.981 66.596 3.049 1.00 31.79 ATOM 1740 CB LEU 196 48.71664.262 4.891 1.00 30.65 ATOM 1741 CG LEU 196 48.111 63.218 5.856 1.0031.74 ATOM 1742 CD1 LEU 196 48.363 61.876 5.281 1.00 32.71 ATOM 1743 CD2LEU 196 48.735 63.288 7.252 1.00 32.09 ATOM 1744 N LYS 197 50.312 67.2694.790 1.00 33.78 ATOM 1745 CA LYS 197 51.318 67.927 3.980 1.00 36.74ATOM 1746 C LYS 197 52.431 66.910 3.573 1.00 36.95 ATOM 1747 O LYS 19752.487 65.762 4.085 1.00 37.20 ATOM 1748 CB LYS 197 51.883 69.166 4.7221.00 37.53 ATOM 1749 CG LYS 197 50.885 70.341 4.822 1.00 39.92 ATOM 1750CD LYS 197 50.542 70.745 3.378 1.00 44.49 ATOM 1751 CE LYS 197 49.50371.820 3.289 1.00 49.11 ATOM 1752 NZ LYS 197 50.033 73.137 3.746 1.0051.33 ATOM 1753 N ARG 198 53.316 67.333 2.673 1.00 36.70 ATOM 1754 CAARG 198 54.337 66.444 2.112 1.00 37.70 ATOM 1755 C ARG 198 55.200 65.8333.247 1.00 36.39 ATOM 1756 O ARG 198 55.469 64.629 3.250 1.00 35.97 ATOM1757 CB ARG 198 55.148 67.195 1.021 1.00 37.77 ATOM 1758 CG ARG 19856.366 66.474 0.404 1.00 40.32 ATOM 1759 CD ARG 198 57.175 67.441 −0.5171.00 41.88 ATOM 1760 NE ARG 198 58.574 67.027 −0.649 1.00 49.67 ATOM1761 CZ ARG 198 59.170 66.702 −1.802 1.00 51.87 ATOM 1762 NH1 ARG 19858.489 66.743 −2.947 1.00 53.30 ATOM 1763 NH2 ARG 198 60.453 66.333−1.808 1.00 51.58 ATOM 1764 N PRO 199 55.623 66.644 4.241 1.00 35.71ATOM 1765 CA PRO 199 56.383 65.975 5.318 1.00 34.81 ATOM 1766 C PRO 19955.516 64.977 6.110 1.00 35.08 ATOM 1767 O PRO 199 56.055 63.974 6.6511.00 34.43 ATOM 1768 CB PRO 199 56.823 67.129 6.208 1.00 34.84 ATOM 1769CG PRO 199 55.836 68.250 5.874 1.00 35.30 ATOM 1770 CD PRO 199 55.51768.099 4.440 1.00 35.36 ATOM 1771 N ASP 200 54.201 65.247 6.175 1.0034.66 ATOM 1772 CA ASP 200 53.252 64.371 6.906 1.00 35.25 ATOM 1773 CASP 200 53.062 63.072 6.146 1.00 35.17 ATOM 1774 O ASP 200 53.055 61.9836.722 1.00 35.34 ATOM 1775 CB ASP 200 51.908 65.054 7.035 1.00 35.09ATOM 1776 CG ASP 200 51.976 66.311 7.874 1.00 35.57 ATOM 1777 OD1 ASP200 52.551 66.260 8.989 1.00 33.86 ATOM 1778 OD2 ASP 200 51.410 67.3317.420 1.00 35.70 ATOM 1779 N GLU 201 52.943 63.196 4.831 1.00 35.17 ATOM1780 CA GLU 201 52.823 62.023 3.976 1.00 34.49 ATOM 1781 C GLU 20154.086 61.136 4.066 1.00 34.61 ATOM 1782 O GLU 201 53.997 59.913 4.1711.00 32.47 ATOM 1783 CB GLU 201 52.492 62.398 2.523 1.00 34.51 ATOM 1784CG GLU 201 52.407 61.131 1.648 1.00 34.40 ATOM 1785 CD GLU 201 51.69861.348 0.353 1.00 36.89 ATOM 1786 OE1 GLU 201 51.475 62.494 −0.017 1.0040.24 ATOM 1787 OE2 GLU 201 51.344 60.361 −0.298 1.00 36.83 ATOM 1788 NLYS 202 55.260 61.764 4.042 1.00 34.91 ATOM 1789 CA LYS 202 56.49961.051 4.256 1.00 35.18 ATOM 1790 C LYS 202 56.511 60.265 5.589 1.0034.53 ATOM 1791 O LYS 202 56.870 59.085 5.584 1.00 33.52 ATOM 1792 CBLYS 202 57.704 62.016 4.144 1.00 36.19 ATOM 1793 CG LYS 202 58.95361.532 4.837 1.00 36.45 ATOM 1794 CD LYS 202 60.187 62.464 4.538 1.0036.73 ATOM 1795 CE LYS 202 61.352 62.086 5.420 1.00 38.08 ATOM 1796 NZLYS 202 62.094 60.862 5.001 1.00 38.27 ATOM 1797 N TYR 203 56.132 60.9246.695 1.00 34.14 ATOM 1798 CA TYR 203 56.081 60.343 8.049 1.00 34.26ATOM 1799 C TYR 203 55.182 59.058 8.081 1.00 33.41 ATOM 1800 O TYR 20355.545 58.012 8.591 1.00 32.66 ATOM 1801 CB TYR 203 55.507 61.380 9.0341.00 34.85 ATOM 1802 CG TYR 203 55.420 60.870 10.446 1.00 36.49 ATOM1803 CD1 TYR 203 56.444 61.128 11.371 1.00 37.59 ATOM 1804 CD2 TYR 20354.323 60.087 10.869 1.00 36.73 ATOM 1805 CE1 TYR 203 56.386 60.62912.694 1.00 38.56 ATOM 1806 CE2 TYR 203 54.267 59.579 12.195 1.00 38.63ATOM 1807 CZ TYR 203 55.309 59.874 13.091 1.00 37.44 ATOM 1808 OH TYR203 55.280 59.398 14.372 1.00 40.73 ATOM 1809 N VAL 204 54.002 59.2047.518 1.00 32.56 ATOM 1810 CA VAL 204 52.952 58.186 7.520 1.00 32.86ATOM 1811 C VAL 204 53.349 56.948 6.664 1.00 32.32 ATOM 1812 O VAL 20453.162 55.792 7.075 1.00 32.22 ATOM 1813 CB VAL 204 51.675 58.966 7.1171.00 33.17 ATOM 1814 CG1 VAL 204 50.933 58.449 5.882 1.00 33.70 ATOM1815 CG2 VAL 204 50.855 59.467 8.375 1.00 31.96 ATOM 1816 N THR 20553.936 57.206 5.498 1.00 32.24 ATOM 1817 CA THR 205 54.428 56.161 4.6081.00 31.51 ATOM 1818 C THR 205 55.481 55.291 5.321 1.00 31.55 ATOM 1819O THR 205 55.359 54.032 5.363 1.00 30.90 ATOM 1820 CB THR 205 54.97056.812 3.295 1.00 31.73 ATOM 1821 OG1 THR 205 53.875 57.474 2.591 1.0030.86 ATOM 1822 CG2 THR 205 55.646 55.761 2.411 1.00 31.29 ATOM 1823 NGLU 206 56.491 55.966 5.892 1.00 31.37 ATOM 1824 CA GLU 206 57.59355.325 6.652 1.00 32.61 ATOM 1825 C GLU 206 57.142 54.659 7.949 1.0032.07 ATOM 1826 O GLU 206 57.573 53.565 8.226 1.00 31.97 ATOM 1827 CBGLU 206 58.753 56.297 6.930 1.00 32.31 ATOM 1828 CG GLU 206 59.41956.801 5.654 1.00 33.50 ATOM 1829 CD GLU 206 60.435 57.936 5.897 1.0034.50 ATOM 1830 OE1 GLU 206 60.604 58.380 7.066 1.00 38.19 ATOM 1831 OE2GLU 206 61.035 58.388 4.917 1.00 31.10 ATOM 1832 N LYS 207 56.281 55.3108.721 1.00 31.90 ATOM 1833 CA LYS 207 55.750 54.708 9.952 1.00 32.07ATOM 1834 C LYS 207 55.029 53.371 9.645 1.00 32.17 ATOM 1835 O LYS 20755.321 52.339 10.253 1.00 32.06 ATOM 1836 CB LYS 207 54.804 55.68810.670 1.00 32.80 ATOM 1837 CG LYS 207 54.356 55.265 12.090 1.00 36.71ATOM 1838 CD LYS 207 55.577 54.891 12.935 1.00 43.40 ATOM 1839 CE LYS207 55.461 55.312 14.453 1.00 46.89 ATOM 1840 NZ LYS 207 56.763 55.09715.135 1.00 47.00 ATOM 1841 N ALA 208 54.094 53.390 8.690 1.00 30.86ATOM 1842 CA ALA 208 53.376 52.163 8.340 1.00 30.32 ATOM 1843 C ALA 20854.366 51.055 7.984 1.00 30.56 ATOM 1844 O ALA 208 54.272 49.920 8.4831.00 29.36 ATOM 1845 CB ALA 208 52.364 52.415 7.163 1.00 28.98 ATOM 1846N TYR 209 55.321 51.403 7.116 1.00 31.34 ATOM 1847 CA TYR 209 56.33350.475 6.618 1.00 32.07 ATOM 1848 C TYR 209 57.240 49.938 7.739 1.0032.83 ATOM 1849 O TYR 209 57.700 48.783 7.691 1.00 32.54 ATOM 1850 CBTYR 209 57.154 51.167 5.554 1.00 32.73 ATOM 1851 CG TYR 209 58.15850.285 4.853 1.00 33.75 ATOM 1852 CD1 TYR 209 57.787 49.556 3.703 1.0034.84 ATOM 1853 CD2 TYR 209 59.483 50.197 5.299 1.00 33.51 ATOM 1854 CE1TYR 209 58.718 48.758 3.031 1.00 34.86 ATOM 1855 CE2 TYR 209 60.43849.371 4.623 1.00 34.90 ATOM 1856 CZ TYR 209 60.032 48.661 3.486 1.0033.05 ATOM 1857 OH TYR 209 60.932 47.845 2.791 1.00 35.66 ATOM 1858 NGLU 210 57.463 50.754 8.762 1.00 34.05 ATOM 1859 CA GLU 210 58.20650.296 9.956 1.00 34.62 ATOM 1860 C GLU 210 57.331 49.457 10.902 1.0035.41 ATOM 1861 O GLU 210 57.848 48.791 11.824 1.00 34.97 ATOM 1862 CBGLU 210 58.758 51.496 10.696 1.00 35.86 ATOM 1863 CG GLU 210 59.77052.335 9.883 1.00 36.13 ATOM 1864 CD GLU 210 59.917 53.774 10.388 1.0038.52 ATOM 1865 OE1 GLU 210 59.209 54.198 11.326 1.00 38.33 ATOM 1866OE2 GLU 210 60.761 54.497 9.805 1.00 40.89 ATOM 1867 N ASN 211 56.01049.495 10.701 1.00 34.65 ATOM 1868 CA ASN 211 55.071 48.805 11.625 1.0035.17 ATOM 1869 C ASN 211 54.033 47.949 10.929 1.00 33.23 ATOM 1870 OASN 211 52.844 48.101 11.179 1.00 34.24 ATOM 1871 CB ASN 211 54.38749.764 12.597 1.00 35.24 ATOM 1872 CG ASN 211 55.388 50.549 13.414 1.0038.14 ATOM 1873 OD1 ASN 211 55.927 51.587 12.954 1.00 41.46 ATOM 1874ND2 ASN 211 55.681 50.053 14.617 1.00 36.20 ATOM 1875 N PRO 212 54.50346.993 10.110 1.00 32.10 ATOM 1876 CA PRO 212 53.583 46.146 9.385 1.0031.76 ATOM 1877 C PRO 212 52.823 45.257 10.356 1.00 31.38 ATOM 1878 OPRO 212 53.380 44.787 11.353 1.00 30.16 ATOM 1879 CB PRO 212 54.49045.317 8.486 1.00 30.78 ATOM 1880 CG PRO 212 55.845 45.286 9.224 1.0031.04 ATOM 1881 CD PRO 212 55.922 46.619 9.893 1.00 31.09 ATOM 1882 NLYS 213 51.562 45.014 10.036 1.00 30.99 ATOM 1883 CA LYS 213 50.76144.074 10.818 1.00 31.42 ATOM 1884 C LYS 213 49.766 43.348 9.955 1.0031.15 ATOM 1885 O LYS 213 49.074 43.953 9.116 1.00 31.01 ATOM 1886 CBLYS 213 49.986 44.817 11.911 1.00 30.59 ATOM 1887 CG LYS 213 50.91145.403 12.959 1.00 29.40 ATOM 1888 CD LYS 213 50.177 45.708 14.282 1.0027.87 ATOM 1889 CE LYS 213 51.127 46.400 15.275 1.00 29.06 ATOM 1890 NZLYS 213 50.269 46.947 16.416 1.00 29.60 ATOM 1891 N PHE 214 49.73642.040 10.165 1.00 31.08 ATOM 1892 CA PHE 214 48.631 41.188 9.699 1.0031.02 ATOM 1893 C PHE 214 47.336 41.569 10.398 1.00 29.28 ATOM 1894 OPHE 214 47.336 42.220 11.486 1.00 28.86 ATOM 1895 CB PHE 214 48.96239.705 10.011 1.00 31.33 ATOM 1896 CG PHE 214 50.110 39.147 9.193 1.0033.17 ATOM 1897 CD1 PHE 214 50.029 39.089 7.785 1.00 34.17 ATOM 1898 CD2PHE 214 51.254 38.643 9.826 1.00 31.80 ATOM 1899 CE1 PHE 214 51.11838.572 7.014 1.00 36.33 ATOM 1900 CE2 PHE 214 52.323 38.129 9.087 1.0032.91 ATOM 1901 CZ PHE 214 52.258 38.077 7.665 1.00 33.95 ATOM 1902 NVAL 215 46.226 41.151 9.796 1.00 27.85 ATOM 1903 CA VAL 215 44.91141.312 10.377 1.00 28.62 ATOM 1904 C VAL 215 44.878 40.607 11.762 1.0028.57 ATOM 1905 O VAL 215 44.295 41.140 12.682 1.00 27.90 ATOM 1906 CBVAL 215 43.749 40.901 9.352 1.00 28.94 ATOM 1907 CG1 VAL 215 43.72139.402 9.060 1.00 29.40 ATOM 1908 CG2 VAL 215 42.428 41.347 9.813 1.0029.76 ATOM 1909 N GLU 216 45.546 39.450 11.872 1.00 28.34 ATOM 1910 CAGLU 216 45.735 38.652 13.131 1.00 29.82 ATOM 1911 C GLU 216 46.36439.490 14.235 1.00 28.79 ATOM 1912 O GLU 216 45.822 39.619 15.311 1.0028.87 ATOM 1913 CB GLU 216 46.608 37.400 12.835 1.00 28.86 ATOM 1914 CGGLU 216 45.872 36.385 11.934 1.00 32.94 ATOM 1915 CD GLU 216 46.30636.426 10.455 1.00 34.70 ATOM 1916 OE1 GLU 216 46.537 37.517 9.914 1.0035.44 ATOM 1917 OE2 GLU 216 46.400 35.347 9.820 1.00 37.76 ATOM 1918 NASP 217 47.483 40.117 13.892 1.00 29.08 ATOM 1919 CA ASP 217 48.23541.031 14.751 1.00 28.86 ATOM 1920 C ASP 217 47.386 42.185 15.203 1.0028.38 ATOM 1921 O ASP 217 47.338 42.504 16.408 1.00 27.02 ATOM 1922 CBASP 217 49.437 41.570 14.000 1.00 29.76 ATOM 1923 CG ASP 217 50.39840.501 13.603 1.00 31.99 ATOM 1924 OD1 ASP 217 50.489 39.492 14.298 1.0038.26 ATOM 1925 OD2 ASP 217 51.084 40.654 12.591 1.00 34.15 ATOM 1926 NMET 218 46.696 42.831 14.261 1.00 28.36 ATOM 1927 CA MET 218 45.81243.928 14.647 1.00 29.64 ATOM 1928 C MET 218 44.706 43.558 15.656 1.0028.41 ATOM 1929 O MET 218 44.492 44.275 16.636 1.00 26.63 ATOM 1930 CBMET 218 45.176 44.629 13.422 1.00 30.96 ATOM 1931 CG MET 218 44.31945.845 13.861 1.00 35.70 ATOM 1932 SD MET 218 45.273 47.280 14.514 1.0045.47 ATOM 1933 CE MET 218 46.456 47.370 13.190 1.00 46.95 ATOM 1934 NVAL 219 43.962 42.479 15.405 1.00 28.22 ATOM 1935 CA VAL 219 42.86942.158 16.337 1.00 28.10 ATOM 1936 C VAL 219 43.427 41.730 17.690 1.0027.11 ATOM 1937 O VAL 219 42.857 42.078 18.725 1.00 27.29 ATOM 1938 CBVAL 219 41.773 41.161 15.749 1.00 28.69 ATOM 1939 CG1 VAL 219 41.16441.775 14.457 1.00 29.54 ATOM 1940 CG2 VAL 219 42.347 39.777 15.445 1.0027.60 ATOM 1941 N ARG 220 44.529 40.996 17.692 1.00 27.25 ATOM 1942 CAARG 220 45.171 40.580 18.986 1.00 29.06 ATOM 1943 C ARG 220 45.66741.777 19.743 1.00 28.85 ATOM 1944 O ARG 220 45.464 41.835 20.955 1.0030.55 ATOM 1945 CB ARG 220 46.331 39.599 18.797 1.00 27.73 ATOM 1946 CGARG 220 45.901 38.148 18.483 1.00 29.78 ATOM 1947 CD ARG 220 47.10037.326 17.937 1.00 29.72 ATOM 1948 NE ARG 220 46.730 35.926 18.068 1.0033.92 ATOM 1949 CZ ARG 220 47.200 34.943 17.324 1.00 32.61 ATOM 1950 NH1ARG 220 48.094 35.206 16.410 1.00 33.13 ATOM 1951 NH2 ARG 220 46.76133.695 17.514 1.00 34.32 ATOM 1952 N ASP 221 46.313 42.708 19.036 1.0028.07 ATOM 1953 CA ASP 221 46.889 43.949 19.662 1.00 28.23 ATOM 1954 CASP 221 45.801 44.821 20.281 1.00 27.79 ATOM 1955 O ASP 221 45.90145.267 21.453 1.00 28.28 ATOM 1956 CB ASP 221 47.746 44.723 18.645 1.0027.76 ATOM 1957 CG ASP 221 49.112 44.102 18.449 1.00 29.80 ATOM 1958 OD1ASP 221 49.405 43.111 19.147 1.00 30.61 ATOM 1959 OD2 ASP 221 49.90244.570 17.583 1.00 32.40 ATOM 1960 N VAL 222 44.730 45.062 19.532 1.0025.93 ATOM 1961 CA VAL 222 43.588 45.761 20.109 1.00 25.63 ATOM 1962 CVAL 222 42.893 45.003 21.279 1.00 26.39 ATOM 1963 O VAL 222 42.53945.632 22.285 1.00 26.70 ATOM 1964 CB VAL 222 42.517 46.148 19.058 1.0024.90 ATOM 1965 CG1 VAL 222 41.313 46.799 19.773 1.00 25.51 ATOM 1966CG2 VAL 222 43.098 47.111 18.028 1.00 24.07 ATOM 1967 N ALA 223 42.66443.688 21.126 1.00 25.77 ATOM 1968 CA ALA 223 41.954 42.885 22.148 1.0026.96 ATOM 1969 C ALA 223 42.728 42.901 23.503 1.00 27.41 ATOM 1970 OALA 223 42.141 42.971 24.555 1.00 27.99 ATOM 1971 CB ALA 223 41.76141.444 21.674 1.00 24.19 ATOM 1972 N THR 224 44.042 42.841 23.440 1.0029.50 ATOM 1973 CA THR 224 44.885 42.923 24.635 1.00 30.83 ATOM 1974 CTHR 224 44.640 44.257 25.358 1.00 31.18 ATOM 1975 O THR 224 44.42644.267 26.568 1.00 31.47 ATOM 1976 CB THR 224 46.353 42.749 24.266 1.0031.10 ATOM 1977 OG1 THR 224 46.515 41.480 23.611 1.00 32.84 ATOM 1978CG2 THR 224 47.176 42.692 25.503 1.00 32.78 ATOM 1979 N SER 225 44.58945.359 24.612 1.00 31.19 ATOM 1980 CA SER 225 44.306 46.698 25.208 1.0032.14 ATOM 1981 C SER 225 42.957 46.770 25.930 1.00 31.64 ATOM 1982 OSER 225 42.830 47.374 26.990 1.00 32.34 ATOM 1983 CB SER 225 44.32347.764 24.141 1.00 32.10 ATOM 1984 OG SER 225 45.639 48.071 23.727 1.0033.71 ATOM 1985 N LEU 226 41.937 46.157 25.346 1.00 31.46 ATOM 1986 CALEU 226 40.571 46.154 25.908 1.00 31.10 ATOM 1987 C LEU 226 40.43745.228 27.121 1.00 31.71 ATOM 1988 O LEU 226 39.721 45.552 28.084 1.0031.22 ATOM 1989 CB LEU 226 39.570 45.678 24.815 1.00 30.41 ATOM 1990 CGLEU 226 39.527 46.532 23.517 1.00 28.65 ATOM 1991 CD1 LEU 226 38.52845.947 22.550 1.00 26.39 ATOM 1992 CD2 LEU 226 39.099 47.926 23.861 1.0026.47 ATOM 1993 N ILE 227 41.083 44.063 27.053 1.00 32.52 ATOM 1994 CAILE 227 41.131 43.158 28.223 1.00 34.66 ATOM 1995 C ILE 227 41.71143.844 29.449 1.00 34.68 ATOM 1996 O ILE 227 41.198 43.695 30.533 1.0036.02 ATOM 1997 CB ILE 227 41.928 41.865 27.959 1.00 35.04 ATOM 1998 CG1ILE 227 41.168 41.012 26.956 1.00 34.54 ATOM 1999 CG2 ILE 227 42.12441.094 29.307 1.00 35.53 ATOM 2000 CD1 ILE 227 42.062 40.002 26.261 1.0035.14 ATOM 2001 N ALA 228 42.764 44.612 29.247 1.00 35.83 ATOM 2002 CAALA 228 43.345 45.463 30.266 1.00 36.33 ATOM 2003 C ALA 228 42.44246.607 30.810 1.00 36.87 ATOM 2004 O ALA 228 42.849 47.311 31.733 1.0036.87 ATOM 2005 CB ALA 228 44.625 46.053 29.715 1.00 35.72 ATOM 2006 NASP 229 41.284 46.864 30.200 1.00 36.77 ATOM 2007 CA ASP 229 40.46147.966 30.644 1.00 37.00 ATOM 2008 C ASP 229 39.408 47.270 31.459 1.0038.22 ATOM 2009 O ASP 229 38.582 46.528 30.903 1.00 37.95 ATOM 2010 CBASP 229 39.842 48.724 29.446 1.00 36.82 ATOM 2011 CG ASP 229 39.07549.993 29.856 1.00 35.61 ATOM 2012 OD1 ASP 229 38.303 49.990 30.845 1.0032.28 ATOM 2013 OD2 ASP 229 39.234 51.020 29.166 1.00 36.47 ATOM 2014 NGLU 240 38.629 44.311 9.090 1.00 26.04 ATOM 2015 CA GLU 240 38.56343.980 7.677 1.00 25.79 ATOM 2016 C GLU 240 39.604 44.840 6.918 1.0026.33 ATOM 2017 O GLU 240 39.581 46.097 7.008 1.00 26.15 ATOM 2018 CBGLU 240 37.133 44.231 7.133 1.00 25.72 ATOM 2019 CG GLU 240 36.96743.804 5.663 1.00 25.21 ATOM 2020 CD GLU 240 35.532 43.825 5.146 1.0026.43 ATOM 2021 OE1 GLU 240 34.604 44.177 5.902 1.00 27.62 ATOM 2022 OE2GLU 240 35.322 43.447 3.967 1.00 26.61 ATOM 2023 N ASN 241 40.534 44.1816.207 1.00 26.14 ATOM 2024 CA ASN 241 41.553 44.895 5.458 1.00 25.32ATOM 2025 C ASN 241 41.235 44.729 3.974 1.00 25.25 ATOM 2026 O ASN 24141.123 43.594 3.494 1.00 23.38 ATOM 2027 CB ASN 241 42.918 44.340 5.7561.00 26.66 ATOM 2028 CG ASN 241 43.291 44.453 7.253 1.00 29.90 ATOM 2029OD1 ASN 241 44.408 44.107 7.640 1.00 36.12 ATOM 2030 ND2 ASN 241 42.38644.967 8.072 1.00 27.28 ATOM 2031 N PHE 242 41.063 45.856 3.277 1.0023.13 ATOM 2032 CA PHE 242 40.624 45.872 1.896 1.00 24.91 ATOM 2033 CPHE 242 41.842 45.651 1.023 1.00 25.54 ATOM 2034 O PHE 242 42.315 46.5690.388 1.00 25.14 ATOM 2035 CB PHE 242 39.830 47.161 1.586 1.00 24.91ATOM 2036 CG PHE 242 38.557 47.241 2.379 1.00 25.60 ATOM 2037 CD1 PHE242 37.410 46.596 1.922 1.00 26.78 ATOM 2038 CD2 PHE 242 38.544 47.8503.650 1.00 25.71 ATOM 2039 CE1 PHE 242 36.201 46.620 2.691 1.00 29.47ATOM 2040 CE2 PHE 242 37.364 47.835 4.469 1.00 24.56 ATOM 2041 CZ PHE242 36.193 47.246 3.984 1.00 26.86 ATOM 2042 N GLU 243 42.356 44.4151.066 1.00 25.28 ATOM 2043 CA GLU 243 43.638 44.037 0.503 1.00 27.20ATOM 2044 C GLU 243 43.891 44.706 −0.844 1.00 26.88 ATOM 2045 O GLU 24343.133 44.481 −1.776 1.00 27.26 ATOM 2046 CB GLU 243 43.754 42.513 0.3421.00 28.44 ATOM 2047 CG GLU 243 43.600 41.751 1.660 1.00 30.04 ATOM 2048CD GLU 243 44.744 42.094 2.585 1.00 32.00 ATOM 2049 OE1 GLU 243 44.61743.037 3.389 1.00 30.26 ATOM 2050 OE2 GLU 243 45.815 41.476 2.446 1.0035.21 ATOM 2051 N SER 244 44.962 45.494 −0.945 1.00 27.02 ATOM 2052 CASER 244 45.160 46.296 −2.185 1.00 27.90 ATOM 2053 C SER 244 45.58245.442 −3.363 1.00 28.54 ATOM 2054 O SER 244 45.551 45.912 −4.525 1.0029.90 ATOM 2055 CB SER 244 46.139 47.432 −1.959 1.00 26.85 ATOM 2056 OGSER 244 47.413 46.896 −1.761 1.00 25.99 ATOM 2057 N ILE 245 45.93644.178 −3.097 1.00 28.99 ATOM 2058 CA ILE 245 46.325 43.247 −4.192 1.0028.75 ATOM 2059 C ILE 245 45.263 42.207 −4.615 1.00 28.22 ATOM 2060 OILE 245 45.454 41.447 −5.589 1.00 28.72 ATOM 2061 CB ILE 245 47.61942.490 −3.832 1.00 28.52 ATOM 2062 CG1 ILE 245 47.395 41.571 −2.619 1.0027.33 ATOM 2063 CG2 ILE 245 48.795 43.496 −3.645 1.00 26.82 ATOM 2064CD1 ILE 245 48.584 40.521 −2.445 1.00 28.82 ATOM 2065 N HIS 246 44.18442.145 −3.849 1.00 27.14 ATOM 2066 CA HIS 246 43.062 41.280 −4.132 1.0026.06 ATOM 2067 C HIS 246 41.827 42.109 −4.349 1.00 26.53 ATOM 2068 OHIS 246 41.870 43.350 −4.164 1.00 25.05 ATOM 2069 CB HIS 246 42.80640.379 −2.962 1.00 26.37 ATOM 2070 CG HIS 246 43.931 39.463 −2.686 1.0027.22 ATOM 2071 ND1 HIS 246 44.492 39.344 −1.432 1.00 29.18 ATOM 2072CD2 HIS 246 44.608 38.617 −3.496 1.00 26.14 ATOM 2073 CE1 HIS 246 45.47038.459 −1.482 1.00 27.29 ATOM 2074 NE2 HIS 246 45.572 38.011 −2.722 1.0028.61 ATOM 2075 N ASN 247 40.747 41.438 −4.800 1.00 25.55 ATOM 2076 CAASN 247 39.419 42.091 −4.806 1.00 25.30 ATOM 2077 C ASN 247 38.49741.540 −3.718 1.00 25.63 ATOM 2078 O ASN 247 37.262 41.603 −3.835 1.0024.99 ATOM 2079 CB ASN 247 38.719 42.052 −6.211 1.00 24.56 ATOM 2080 CGASN 247 37.661 43.139 −6.348 1.00 25.15 ATOM 2081 OD1 ASN 247 37.85344.249 −5.856 1.00 27.25 ATOM 2082 ND2 ASN 247 36.531 42.826 −6.973 1.0025.75 ATOM 2083 N HIS 248 39.094 41.004 −2.644 1.00 24.93 ATOM 2084 CAHIS 248 38.331 40.606 −1.484 1.00 24.20 ATOM 2085 C HIS 248 39.16541.050 −0.265 1.00 24.68 ATOM 2086 O HIS 248 40.280 41.561 −0.416 1.0023.64 ATOM 2087 CB HIS 248 38.116 39.080 −1.470 1.00 24.81 ATOM 2088 CGHIS 248 39.397 38.297 −1.527 1.00 22.23 ATOM 2089 ND1 HIS 248 40.07837.886 −0.404 1.00 26.19 ATOM 2090 CD2 HIS 248 40.115 37.849 −2.579 1.0022.16 ATOM 2091 CE1 HIS 248 41.186 37.259 −0.757 1.00 21.82 ATOM 2092NE2 HIS 248 41.208 37.186 −2.077 1.00 24.48 ATOM 2093 N SER 249 38.62640.823 0.930 1.00 24.78 ATOM 2094 CA SER 249 39.213 41.375 2.180 1.0024.32 ATOM 2095 C SER 249 39.808 40.290 3.013 1.00 24.05 ATOM 2096 O SER249 39.310 39.195 2.945 1.00 25.10 ATOM 2097 CB SER 249 38.100 42.0592.967 1.00 23.81 ATOM 2098 OG SER 249 37.687 43.271 2.322 1.00 24.81ATOM 2099 N ALA 250 40.875 40.574 3.763 1.00 24.15 ATOM 2100 CA ALA 25041.299 39.754 4.900 1.00 24.78 ATOM 2101 C ALA 250 40.460 40.198 6.0861.00 25.30 ATOM 2102 O ALA 250 40.141 41.384 6.212 1.00 25.56 ATOM 2103CB ALA 250 42.799 39.978 5.181 1.00 25.32 ATOM 2104 N TYR 251 40.09539.261 6.971 1.00 24.61 ATOM 2105 CA TYR 251 39.171 39.541 8.041 1.0024.59 ATOM 2106 C TYR 251 39.481 38.699 9.294 1.00 25.35 ATOM 2107 O TYR251 39.807 37.517 9.169 1.00 25.44 ATOM 2108 CB TYR 251 37.739 39.2287.534 1.00 25.31 ATOM 2109 CG TYR 251 36.650 39.348 8.575 1.00 24.55ATOM 2110 CD1 TYR 251 36.232 40.589 9.035 1.00 23.76 ATOM 2111 CD2 TYR251 36.033 38.192 9.120 1.00 27.05 ATOM 2112 CE1 TYR 251 35.218 40.70610.015 1.00 23.94 ATOM 2113 CE2 TYR 251 35.009 38.299 10.113 1.00 26.38ATOM 2114 CZ TYR 251 34.626 39.548 10.547 1.00 25.70 ATOM 2115 OH TYR251 33.644 39.657 11.508 1.00 30.46 ATOM 2116 N ALA 252 39.332 39.25210.484 1.00 25.78 ATOM 2117 CA ALA 252 39.476 38.425 11.698 1.00 26.50ATOM 2118 C ALA 252 38.616 38.996 12.773 1.00 27.38 ATOM 2119 O ALA 25238.245 40.160 12.707 1.00 27.79 ATOM 2120 CB ALA 252 40.915 38.38812.137 1.00 25.42 ATOM 2121 MN MN2 258 50.065 40.444 1.837 1.00 31.39ATOM 2122 N1 AZI 261 48.108 38.620 2.111 0.50 29.51 ATOM 2123 N2 AZI 26147.484 38.074 1.282 0.50 23.78 ATOM 2124 N3 AZI 261 47.000 37.552 0.3490.50 33.34 TER ENDMDL

Example 10 Metal Dependencies of GCYH-IB

Enzyme Activity Assays:

All chemicals were of analytical, metal-free grade from Sigma or Fisher.All solutions were prepared with Milli-Q water (18.2 MΩ) and treatedwith Chelex-100 (BioRad) to remove contaminating metals. Glassware weresoaked in nitric acid (10%), then EDTA (5 mM) and rinsed liberally withChelex-treated Milli-Q water before use. Activity assays were conductedas described previously (El Yacoubi et al, 2006) using either variableconcentrations of metal or EDTA (5 mM), and 0.1 mM GTP.

Apoenzyme Preparation:

Metal ions were removed from B. subtilis and N. gonorrhoeae GCYH-IB byincubating the purified, recombinant protein (0.5 ml) with EDTA (5 mM, 1hr, 21° C.) followed by dialysis thrice against a 4-liter solution ofTris-HCl (50 mM, pH 8.0), KCl (50 mM), EDTA (5 mM) and a few grams ofChelex-100. The resulting apoenzyme was dialyzed thrice against 3 L ofTris-HCl (50 mM, pH 8.0), KCl (50 mM), and Chelex-100 to remove EDTA andpassed through Chelex-100 resin (5 ml protein solution per 3 ml resin)prior to activity assays. Protein concentrations were determinedspectrophotometrically.

Metal Activation Studies:

The B. subtilis apoenzyme (2 μM) was incubated with varyingconcentrations (0.1 μM-4 mM) of metal chlorides (MnCl2, ZnCl2, MgCl2,NiCl2, CaCl2, CdCl2, CoCl2, CuCl2, CoCl3, FeCl3) or Fe(SO4) in standardbuffer (100 mM HEPES, pH 8.0, 100 mM KCl) for 10 min at 37° C., andassayed for activity as described above. All assays involving Fe²⁺ wereconducted in an anaerobic chamber with degassed and N2-purged buffers.

Reconstitution of N. gonorrhoeae GCYH-IB with Mn:

The apoenzyme was incubated in the presence of 2-7 molar equivalents ofMnCl2 in standard buffer containing 2 mM DTT for 60 min at 25° C.Loosely bound metal was removed either by dialysis twice againstTris-HCl (50 mM, pH 8.0), KCl (50 mM) and DTT (1 mM) for 4 hr at 4° C.,filtration on a Sephadex G-25 column, or extensive washing with bufferin an Amicon ultra-centrifugal device. The enzyme was assayed foractivity as described above and the metal content analyzed by ICP-MS.

Example 11 Zinc-Dependent Regulation of GCYH-IB

Bioinformatics:

Analysis of the folE/folE2 gene distribution was performed using theSEED annotation environment. Results are made available in the ‘Folatebiosynthesis’ subsystem at http://theseed.uchicago.edu/FIG/index.cgi.Candidate Zur binding sites were identified using the Genome Explorersoftware (Mironov et al., 2000) by scanning bacterial genomes with twoPWMs constructed using the training sets of two different sets of knownZur binding sites in proteobacteria and firmicutes. Panina et al. 100Proc. Natl. Acad. Sci. USA, 9912-9917 (2003).

B. subtilis Strain Construction and Growth Conditions:

All strains were derived from the B. subtilis 168 trpc2attSPβwild-typestrain, CU1065, and were grown in LB. Growth curves were done using aBioscreen CMBR system for 24 hours with OD600 measurements every 10 min.Liquid overnight cultures with antibiotics were used to startpre-cultures that were diluted at mid-log to a normalized OD600 of 0.01in a volume of 200 μl in a 100-well honeycomb microtiter plate at whichpoint the growth curve was started. Cultures were incubated at 37° C.with shaking at 200 rpm. For selection, antibiotics were added at thefollowing concentrations: erythromycin (1 μg/ml) and lincomycin (25μg/ml) (for selecting for macrolide-lincosamide-streptogramin Bresistance), spectinomycin (100 μg/ml), kanamycin (15 μg/ml).

Mutants in folE, folE2 and zur were constructed usinglong-flanking-homology polymerase chain reaction (LFH-PCR) as previouslydescribed (Butcher & Heimann, 2006). LFH-PCR and chromosomal DNAtransformation were used to generate strains expressing variouscombinations of GCYH-I enzymes. Specifically, strain HB6788CU1065folE::mls) lacks GCYH-IA while its GCYH-IB is repressed, but itsgene is still present (designated ΔfolE). This strain was used forconstruction of other strains. Strain HB6791 (CU1065 folE::mls zur::kan)expresses only GCYH-IB (designated ΔfolE Δzur). Strain HB6852 (CU1065folE::mls zur::kan folE2::spc) lacks both GCYH-I isozymes (designatedΔfolE Δzur ΔfolE2).

1. A computer-readable medium having GCYH-IB crystal structureinformation stored thereon.
 2. A computer-readable medium havingGCYH-IB.Mn²⁺ crystal structure information stored thereon.
 3. Acomputer-based method for the analysis of the interaction of a ligandwith GCYH-IB, which comprises: providing the GCYH-IB structure of FIG.2A and FIG. 3A, providing the GCYH-IB active site structure of Table 10,said Table 10 being optionally varied by a rmsd of less than 1.5A, orselected co-ordinates thereof; providing a ligand structure to be fittedto said GCYH-IB structure or selected co-ordinates thereof; and fittingthe ligand structure to said GCYH-IB structure, wherein said ligandstructure is fitted to at least one atom from the amino acids in thegroup consisting of Glu150, Arg198, His246, Ser61, Arg62, His59, Glu216,Glu243, His248, Lys197, Cys147, Glu201, His259, Gln161, Ile245, Leu96,Val204, Cys149, Phe214, Asn241, Lys151, Ile153, Glu152, Pro148, Lys56,Arg220, Met60, Gly57, Thr58, Val215, Ser150, Thr205, Val21, Ala252,Ty251 and Gly22.
 4. The method of claim 3 wherein said ligand is fittedto atom Zn258 of Table
 10. 5. The method of claim 3 wherein said ligandis fitted to one or more atoms selected from the ligand molecule ACY259of Table
 10. 6. The method of claim 3, wherein the GCYH-IB structure isof Table 10 optionally varied by a rmsd of less than 1.5 A, or selectedcoordinates thereof.
 7. The method of claim 6 wherein the GCYH-IBstructure is of Table 10 optionally varied by a rmsd of less than 0.5 A,or selected coordinates thereof.
 8. A computer-based method for theanalysis of the interaction of a ligand with GCYH-IB.Mn²⁺, whichcomprises: providing the GCYH-IB.Mn²⁺ active site structure of Table 11,said Table 11 being optionally varied by a rmsd of less than 1.5A, orselected co-ordinates thereof; providing a ligand structure to be fittedto said or GCYH-IB.Mn²⁺ structure or selected co-ordinates thereof; andfitting the ligand structure to said GCYH-IB.Mn²⁺ structure, whereinsaid ligand structure is fitted to at least one atom from the aminoacids in the group consisting of Glu150, Arg198, His246, Ser61, Arg62,His 59, Glu216, Glu243, His248, Lys197, Cys147, Glu201, His259, Gln161,Ile245, Leu96, Val204, Cys149, Phe214, Asn241, Lys151, Ile153, Glu152,Pro148, Lys56, Arg220, Met60, Gly57, Thr58, Val215, Ser150, Thr205,Val21, Ala252, Ty251 and Gly22.
 9. The method of claim 8 wherein saidligand is fitted to atom Mn258 of Table
 11. 10. The method of claim 8wherein said ligand is fitted to one or more atom selected from theligand molecule AZI261 of Table
 11. 11. The method of claim 8, whereinthe GCYH-IB.Mn²⁺ structure is of Table 11 optionally varied by a rmsd ofless than 1.5 A, or selected coordinates thereof.
 12. The method ofclaim 11 wherein the GCYH-IB.Mn²⁺ structure is of Table 11 optionallyvaried by a rmsd of less than 0.5 A, or selected coordinates thereof.13. A method of providing data for generating structures and/orperforming optimisation of compounds which interact with GCYH-IB orGCYH-IB.Mn²⁺, or complexes of GCYH-IB or GCYH-IB.Mn²⁺ with ligands, themethod comprising: (i) establishing communication with a remote devicecontaining computer-readable data comprising the structure of Table 10or Table 11 optionally varied by a rmsd of less than 1.5A or selectedco-ordinates thereof; and (ii) receiving said computer-readable datafrom said remote device.
 14. The method of claim 13 which furthercomprises performing the computer-based method of claim 3.